Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CALCA | P06881 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 4/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3838306 | 0.90 | KCNH2 (0.54) | ALDH1A1CALCACYP2C9KCNH2MAPT | |
| SCHEMBL3836932 | 0.90 | TP53 (0.47) | ALDH1A1TP53THRBCYP2C9KCNH2 | |
| SCHEMBL3837680 | 0.90 | TP53 (0.47) | ALDH1A1TP53THRBCYP2C9KCNH2 | |
| SCHEMBL3839707 | 0.88 | CALCA (0.52) | ALDH1A1CALCATHRBCYP2C9KCNH2 | |
| SCHEMBL3840254 | 0.88 | KCNH2 (0.54) | ALDH1A1CALCACYP2C9KCNH2MAPT | |
| SCHEMBL3835697 | 0.87 | MAPT (0.49) | HTTTP53THRBCYP2C9KCNH2 | |
| SCHEMBL3838301 | 0.86 | HPGD (0.41) | TP53CYP2C9KCNH2KDM4ELMNA | |
| SCHEMBL3838569 | 0.85 | HRH3 (0.41) | ALDH1A1CYP2C9KCNH2 | |
| SCHEMBL3842530 | 0.85 | KCNH2 (0.42) | ALDH1A1CALCATP53THRBCYP2C9 | |
| SCHEMBL3838395 | 0.83 | KCNH2 (0.51) | ALDH1A1CALCATP53CYP2C9KCNH2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745052-B9 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-10-28 | — | — | EP | claimed |
| EP-1745052-B1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2008-08-20 | — | — | EP | claimed |
| US-20050256109-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY | 2005-11-17 | — | — | US | claimed |
| EP-1745052-B9 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-10-28 | — | — | EP | disclosed |
| US-7419969-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-09-02 | — | — | US | 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 |
| US-7273859-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-7273859-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| WO-2007058646-A1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-24 | — | — | WO | disclosed |
| US-20060106007-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | ROBERT BOSCH GMBH (DE) | 2006-05-18 | — | — | US | 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 (2 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-20060106007-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | TYMP, TYMS, SAMHD1 | ALDH1A1 712/4885HTT 2756/4885CALCA 2904/4885 |
| US-20050256109-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | TYMP, TYMS, SAMHD1 | ALDH1A1 712/4885HTT 2756/4885CALCA 2904/4885 |
“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.