Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8239614 | 0.84 | SMN1; SMN2 (0.44) | CYP1A2CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL26525864 | 0.78 | DRD2 (0.49) | KDM4EALDH1A1NPC1HPGDRAB9A | |
| SCHEMBL27041761 | 0.78 | KDM4E (0.42) | CYP1A2CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL6801787 | 0.78 | TRPM8 (0.43) | CYP1A2CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL9279464 | 0.76 | NOS2 (0.35) | — | |
| SCHEMBL9526361 | 0.75 | KDM4E (0.55) | CYP1A2CYP2C9CYP2C19CYP2D6CYP19A1 | |
| SCHEMBL9286630 | 0.73 | NOS2 (0.33) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL19876941 | 0.73 | KCNH2 (0.50) | — | |
| SCHEMBL8239720 | 0.73 | NPC1 (0.47) | CYP1A2CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL64052 | 0.71 | HRH1 (0.60) | CYP1A2CYP2C19CYP2D6KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0683772-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1995-11-29 | — | — | EP | disclosed |
| EP-0683772-A4 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS. | ABBOTT LAB (US) | 1995-09-27 | — | — | EP | disclosed |