Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | TET3 | O43151 | 1/20 | 0.46 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.46 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.46 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.46 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4811633 | 0.97 | CYP3A4 (0.57) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL4807202 | 0.95 | CYP3A4 (0.56) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL838025 | 0.93 | ALDH1A1 (0.55) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL3443266 | 0.84 | KMT2A (0.61) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL10002472 | 0.83 | LMNA (0.60) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL11046813 | 0.82 | POLB (0.56) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL503291 | 0.81 | KMT2A (0.65) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL13692378 | 0.81 | CYP3A4 (0.58) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL8586765 | 0.79 | KDM4E (0.58) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL15256583 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2C19KDM4EALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0618900-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5519034-A | ANALGESICS | THE BOOTS COMPANY PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| EP-0618900-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. | BOOTS CO PLC (GB) | 1994-10-12 | — | — | EP | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |