Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7797898 | 0.86 | CES1 (0.41) | CES1NR4A1NR4A2NR4A3NFE2L2 | |
| SCHEMBL7149425 | 0.86 | CES1 (0.41) | CES1NFE2L2F2LMNAALDH1A1 | |
| SCHEMBL3189100 | 0.75 | TSHR (0.59) | CES1NFE2L2F2LMNAALDH1A1 | |
| SCHEMBL1536367 | 0.75 | TSHR (0.59) | CES1NFE2L2F2LMNAALDH1A1 | |
| SCHEMBL1536368 | 0.75 | TSHR (0.59) | CES1NFE2L2F2LMNAALDH1A1 | |
| SCHEMBL219676 | 0.74 | LMNA (0.56) | CES1F2LMNAALDH1A1TSHR | |
| SCHEMBL28123902 | 0.72 | LMNA (0.54) | CES1F2LMNAALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL6620902 | 0.72 | LMNA (0.54) | CES1F2LMNAALDH1A1TSHR | |
| SCHEMBL11421432 | 0.72 | ELANE (0.43) | CES1NFE2L2F2LMNAALDH1A1 | |
| SCHEMBL11421430 | 0.72 | ELANE (0.43) | CES1NFE2L2F2LMNAALDH1A1 |
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-1309590-A1 | AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS | Pharmacia Italia S.p.A. (IT) | 2003-05-14 | — | — | EP | disclosed |
| WO-2001098299-A1 | AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA ITALIA S.P.A. (IT) | 2001-12-27 | — | — | WO | disclosed |