Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14927393 | 0.81 | ALDH1A1 (0.48) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL6518406 | 0.78 | CA9 (0.38) | CYP1A2CYP2A6KDM4ETDP1 | |
| SCHEMBL598308 | 0.75 | CYP1A2 (0.60) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL19753961 | 0.73 | CA12 (0.36) | CYP1A2CYP2A6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL17063039 | 0.73 | CYP1A2 (0.39) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL20434643 | 0.73 | KIF11 (0.51) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL12149389 | 0.72 | THRB (0.44) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL194091 | 0.71 | ACHE (0.48) | CYP2A6ALDH1A1HPGDLMNATDP1 | |
| SCHEMBL13588216 | 0.71 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL15869806 | 0.71 | CYP2A6 (0.54) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012007087-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2012-01-19 | — | — | WO | disclosed |