Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11100155 | 0.90 | OPRM1 (0.45) | CYP2D6CYP2C19KMT2AMEN1TDP1 | |
| SCHEMBL11097106 | 0.89 | DRD2 (0.47) | CYP2D6CYP2C19KMT2AMEN1TDP1 | |
| SCHEMBL11099128 | 0.86 | MEN1 (0.52) | CYP2D6CYP2C19KMT2AMEN1LMNA | |
| SCHEMBL11092131 | 0.86 | DRD4 (0.51) | KMT2AMEN1TSHRDRD4DRD3 | |
| SCHEMBL11097236 | 0.86 | MAPT (0.45) | CYP2D6CYP2C19KMT2AMEN1TDP1 | |
| SCHEMBL11096164 | 0.84 | CXCR6 (0.48) | TSHRDRD4DRD3DRD2 | |
| SCHEMBL11092436 | 0.84 | MEN1 (0.51) | KMT2AMEN1OPRM1OPRK1KCNH2 | |
| SCHEMBL11270191 | 0.84 | CXCR4 (0.47) | CYP2D6CYP2C19KMT2AMEN1LMNA | |
| SCHEMBL11098468 | 0.83 | TSHR (0.44) | TSHRDRD4DRD3DRD2 | |
| SCHEMBL11096744 | 0.80 | UBE2M (0.45) | KMT2AMEN1LMNAALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0031219-B1 | ANILINE DERIVATIVES | BEECHAM GROUP PLC (GB) | 1984-03-07 | — | — | EP | disclosed |
| US-4350691-A | ANTIEMETICS | BEECHAM GROUP LIMITED (GB) | 1982-09-21 | — | — | US | disclosed |
| EP-0031219-A1 | Aniline derivatives | BEECHAM GROUP PLC (GB) | 1981-07-01 | — | — | EP | disclosed |