Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 12/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23071560 | 0.80 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL4275914 | 0.80 | PDK2 (0.42) | PTGS2TDO2 | |
| SCHEMBL8880561 | 0.79 | MAPT (0.39) | ALDH1A1KDM4ELMNATP53MAPT | |
| SCHEMBL4365990 | 0.79 | CYP2A6 (0.48) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL7952212 | 0.79 | CYP2A6 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL7953803 | 0.78 | MKNK1 (0.46) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL28592408 | 0.77 | CYP2A6 (0.47) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL695988 | 0.77 | PDCD1 (0.39) | CYP2A6CYP2B6ALDH1A1PTGS2LMNA | |
| SCHEMBL8195408 | 0.76 | CYP2A6 (0.41) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL6640379 | 0.76 | PTGS2 (0.56) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5661106-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-26 | — | — | US | disclosed |
| EP-0695296-A1 | 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-07 | — | — | EP | disclosed |
| WO-1994025443-A1 | 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 1994-11-10 | — | — | WO | disclosed |