Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 4/20 | 0.42 |
| ▸ | FNTB | P49356 | 4/20 | 0.42 |
| ▸ | PGGT1B | P53609 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8095399 | 0.93 | CYP3A4 (0.44) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8098292 | 0.89 | ATM (0.38) | ALDH1A1KDM4EGAAHTTATM | |
| SCHEMBL8097852 | 0.88 | KDM4E (0.46) | ALDH1A1KDM4EFNTAFNTBPGGT1B | |
| SCHEMBL8088938 | 0.88 | KDM4E (0.46) | ALDH1A1KDM4EFNTAFNTBPGGT1B | |
| SCHEMBL8103798 | 0.87 | L3MBTL1 (0.39) | ALDH1A1KDM4EMAPTTP53CYP1A2 | |
| SCHEMBL8101381 | 0.86 | CCR5 (0.38) | FNTAFNTBATMCCR2KMT2A | |
| SCHEMBL446561 | 0.86 | ALOX12 (0.40) | CCR2KMT2A | |
| SCHEMBL8095905 | 0.86 | GSK3B (0.38) | CYP2C9ATMNPSR1 | |
| SCHEMBL8088210 | 0.85 | TSHR (0.40) | CYP1A2CYP3A4CYP2C9HTTROCK2 | |
| SCHEMBL8101586 | 0.85 | GPBAR1 (0.35) | MAPTCYP2C9GAANPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6127366-A | ANTICARCINOGENIC OR ANTITUMOR AGENTS | MERCK & CO., INC. (US) | 2000-10-03 | — | — | US | disclosed |
| US-5817678-A | IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC | MERCK & CO., INC. (US) | 1998-10-06 | — | — | US | disclosed |