Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8784457 | 0.86 | CYP1A2 (0.58) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8784597 | 0.83 | CYP1A2 (0.74) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8783577 | 0.82 | CYP1A2 (0.63) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL9781436 | 0.82 | FASN (0.50) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL7255932 | 0.82 | KDM4E (0.47) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8785225 | 0.81 | CYP1A2 (0.61) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8783422 | 0.80 | KDM4E (0.77) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL6545659 | 0.79 | EEF2K (0.57) | CYP2C9 | |
| SCHEMBL8784335 | 0.76 | CYP1A2 (0.82) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8784175 | 0.76 | CYP1A2 (0.84) | CYP1A2POLBCYP3A4CYP2C9TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0481676-B1 | Hydroxyquinolone derivatives | MERCK SHARP & DOHME (GB) | 1997-01-29 | — | — | EP | claimed |
| US-5348962-A | Nervous system disorders; schizophrenia | MERCK SHARPE & DOHME LTD. | 1994-09-20 | — | — | US | claimed |
| EP-0481676-A1 | Hydroxyquinolone derivatives | MERCK SHARP & DOHME LTD. (GB) | 1992-04-22 | — | — | EP | claimed |
| EP-0481676-B1 | Hydroxyquinolone derivatives | MERCK SHARP & DOHME (GB) | 1997-01-29 | — | — | EP | disclosed |
| US-5559125-A | NMDA AND AMPA RECEPTOR ANTAGONISTS, SCHIZOPHRENIA | MERCK, SHARP & DOHME LIMITED (GB) | 1996-09-24 | — | — | US | disclosed |
| US-5348962-A | Nervous system disorders; schizophrenia | MERCK SHARPE & DOHME LTD. | 1994-09-20 | — | — | US | disclosed |