Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | TYMP | P19971 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1820374 | 0.82 | DHFR (0.42) | CYP1A2CYP2A6TYMPCES1GPR84 | |
| SCHEMBL338172 | 0.77 | CES1 (0.55) | CYP1A2CYP2A6TYMPCES1GPR84 | |
| SCHEMBL3277152 | 0.77 | CYP2A6 (0.54) | CYP1A2CYP2A6TYMPALDH1A1HSD17B10 | |
| SCHEMBL30424976 | 0.76 | CYP2A6 (0.54) | CYP1A2CYP2A6TYMPGPR84ALDH1A1 | |
| SCHEMBL30944688 | 0.74 | DNMT1 (0.47) | CYP1A2CYP2A6TYMPCES1GPR84 | |
| SCHEMBL367587 | 0.74 | DNMT1 (0.47) | CYP1A2CYP2A6TYMPCES1GPR84 | |
| SCHEMBL7243627 | 0.74 | CES1 (0.52) | CYP1A2CYP2A6TYMPCES1GPR84 | |
| SCHEMBL7018433 | 0.72 | TYMP (0.43) | CYP1A2CYP2A6TYMPCES1GPR84 | |
| SCHEMBL27263879 | 0.72 | ALDH1A1 (0.53) | CYP1A2CYP2A6TYMPALDH1A1HSD17B10 | |
| SCHEMBL29663473 | 0.72 | GPR84 (0.53) | CYP2A6TYMPCES1GPR84ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6992201-B2 | Process for preparing phosphites and transition metal complexes | BAYER AKTIENGESELLSCHAFT (DE) | 2006-01-31 | — | — | US | disclosed |
| US-20040116726-A1 | Process for preparing phosphites and transition metal complexes | LANXESS DEUTSCHLAND GMBH (DE) | 2004-06-17 | — | — | US | disclosed |