Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 11/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.56 |
| ▸ | PKM | P14618 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 3/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.54 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.50 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | METAP2 | P50579 | 2/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL24075247 | 0.78 | METAP1 (0.51) | NPC1KDM4ERAB9AMETAP2METAP1 | |
| SCHEMBL2681490 | 0.78 | CDK1 (0.65) | NPC1KDM4ENPSR1RECQLRAB9A | |
| SCHEMBL2293308 | 0.75 | KDM4E (1.00) | NPC1KDM4ENPSR1RECQLRAB9A | |
| SCHEMBL172216 | 0.74 | NPC1 (1.00) | NPC1KDM4ENPSR1RAB9AALDH1A1 | |
| SCHEMBL30634854 | 0.74 | NPC1 (1.00) | NPC1KDM4ENPSR1RAB9AALDH1A1 | |
| SCHEMBL30561047 | 0.74 | NPC1 (1.00) | NPC1KDM4ENPSR1RAB9AALDH1A1 | |
| SCHEMBL25428376 | 0.74 | NPC1 (0.56) | NPC1KDM4ENPSR1RECQLRAB9A | |
| SCHEMBL29523886 | 0.74 | NPC1 (0.56) | NPC1KDM4ENPSR1RECQLRAB9A | |
| SCHEMBL25439408 | 0.74 | NPC1 (0.56) | NPC1KDM4ENPSR1RECQLRAB9A | |
| SCHEMBL3336160 | 0.73 | NPC1 (0.63) | NPC1KDM4ENPSR1RECQLRAB9A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8394796-B2 | Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use | GENENTECH, INC. (US) | 2013-03-12 | — | — | US | disclosed |
| US-20120178736-A1 | BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE | CASTANEDO GEORGETTE (US) | 2012-07-12 | — | — | US | disclosed |
| US-8173650-B2 | Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use | GENENTECH, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| WO-2010138589-A1 | BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE | GENENTECH, INC. (US) | 2010-12-02 | — | — | WO | disclosed |
| US-20100305096-A1 | BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE | GENENTECH, INC. | 2010-12-02 | — | — | US | disclosed |
| WO-2007117778-A9 | QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS INC (US) | 2009-05-22 | — | — | WO | disclosed |
| EP-1986747-A2 | QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | Kalypsys, Inc. (US) | 2008-11-05 | — | — | EP | disclosed |
| US-20080139558-A1 | QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2008-06-12 | — | — | US | disclosed |
| WO-2007117778-A2 | QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2007-10-18 | — | — | WO | 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 (3 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-20080139558-A1 | QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | NOS2, NOS1, NQO2 | NPC1 1303/4885KDM4E 3053/4885NPSR1 1521/4885 |
| US-20120178736-A1 | BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE | PIK3CA, PIK3R2, PIK3CD | NPC1 2221/4885KDM4E 4660/4885NPSR1 2754/4885 |
| US-20100305096-A1 | BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE | PIK3CA, PIK3R2, PIK3CD | NPC1 2309/4885KDM4E 4647/4885NPSR1 2742/4885 |
“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.