Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | RORB | Q92753 | 1/20 | 0.38 |
| ▸ | TYMP | P19971 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL669469 | 0.83 | CYP2A6 (0.40) | CYP2A6CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL18258983 | 0.81 | CYP2A6 (0.39) | CYP2A6CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL646330 | 0.81 | ALDH1A1 (0.42) | CYP2A6CYP1A2TYMPKDM4EALDH1A1 | |
| SCHEMBL3990580 | 0.81 | CYP2A6 (0.44) | CYP2A6KDM4EALDH1A1HSD17B10RAB9A | |
| SCHEMBL9614637 | 0.79 | ALDH1A1 (0.50) | CYP2A6CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL18957552 | 0.79 | KDM4E (0.38) | CYP2A6CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3841865 | 0.79 | CYP1A2 (0.50) | CYP1A2KDM4EALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL668681 | 0.79 | MAPT (0.42) | CYP2A6CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL8360620 | 0.78 | MCL1 (0.35) | CYP2A6CYP1A2KDM4EHSD17B10PTPN1 | |
| SCHEMBL9223446 | 0.78 | CYP1A2 (0.43) | CYP2A6CYP1A2RORCRORBTYMP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5945422-A | ANTICANCER AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS | WARNER-LAMBERT COMPANY (US) | 1999-08-31 | — | — | US | disclosed |