Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | CDC25C | P30307 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13078874 | 0.83 | METAP2 (0.32) | NPC1RAB9A | |
| SCHEMBL29450000 | 0.79 | IDO1 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL5206170 | 0.79 | IDO1 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL23457481 | 0.76 | MAOB (0.46) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| Water SCHEMBL28683814 | 0.76 | KMT2A (0.42) | GAANOTUMNPC1RAB9A | |
| Water SCHEMBL28017584 | 0.76 | MAPT (0.43) | MMP3NPC1RAB9A | |
| SCHEMBL3508077 | 0.75 | METAP2 (0.45) | GAAMAOBCASP1NPC1RAB9A | |
| SCHEMBL30509965 | 0.74 | GCGR (0.41) | GABRG2GABRB3GABRA5GABRA3CYP11B2 | |
| SCHEMBL23457486 | 0.74 | CYP19A1 (0.41) | NOTUMMMP3CYP19A1CYP11B2RAB9A | |
| SCHEMBL13724458 | 0.74 | XDH (0.37) | KDM1A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7897592-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-01 | — | — | US | disclosed |
| US-20100261758-A1 | HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS | NOVARTIS AG (CH) | 2010-10-14 | — | — | US | disclosed |
| EP-1745052-B9 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-10-28 | — | — | EP | disclosed |
| EP-2001851-A2 | AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES | Novartis AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| US-7419969-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-09-02 | — | — | US | disclosed |
| EP-1745052-B1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007110237-A2 | AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES | NOVARTIS AG (CH) | 2007-10-04 | — | — | WO | disclosed |
| US-7273859-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| EP-1831183-A1 | 1,6-SUBSTITUTED (3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS | GLAXO GROUP LIMITED (GB) | 2007-09-12 | — | — | EP | disclosed |
| CN-1984917-A | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL MYERS SQUIBB CO (US) | 2007-06-20 | — | — | CN | disclosed |
| WO-2007064619-A1 | PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-07 | — | — | WO | disclosed |
| US-20070129379-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-07 | — | — | US | disclosed |
| WO-2007059125-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007058646-A1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-24 | — | — | WO | disclosed |
| US-20070112190-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-05-17 | — | — | US | disclosed |
| EP-1745052-A1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | Bristol-Myers Squibb Company (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2006067462-A1 | 1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS | GLAXO GROUP LIMITED (GB) | 2006-06-29 | — | — | WO | disclosed |
| US-20060106007-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | ROBERT BOSCH GMBH (DE) | 2006-05-18 | — | — | US | disclosed |
| WO-2005113562-A1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-01 | — | — | WO | disclosed |
| US-20050256109-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY | 2005-11-17 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100261758-A1 | HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS | HRH4, CNR1, CNR2 | GABRA1 427/4885GABRG2 559/4885GABRB3 591/4885 |
| US-20060106007-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | TYMP, TYMS, SAMHD1 | GABRA1 2854/4885GABRG2 3313/4885GABRB3 3238/4885 |
| US-20070129379-A1 | HIV INTEGRASE INHIBITORS | TYMP, POLN, IMPDH1 | GABRA1 1728/4885GABRG2 2397/4885GABRB3 2767/4885 |
| US-20050256109-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | TYMP, TYMS, SAMHD1 | GABRA1 2854/4885GABRG2 3313/4885GABRB3 3238/4885 |
| US-20070112190-A1 | HIV integrase inhibitors | TYMP, POLN, IMPDH1 | GABRA1 1728/4885GABRG2 2397/4885GABRB3 2767/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.