Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | PREP | P48147 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3052477 | 1.00 | CES1 (0.54) | CES1PDPK1ALDH1A1NFE2L2NR4A1 | |
| SCHEMBL3052475 | 1.00 | CES1 (0.54) | CES1PDPK1ALDH1A1NFE2L2NR4A1 | |
| SCHEMBL28688878 | 0.86 | NFE2L2 (0.55) | CES1ALDH1A1NFE2L2CA2CA4 | |
| SCHEMBL6203163 | 0.84 | CES1 (0.50) | CES1ALDH1A1NFE2L2CA2CA4 | |
| SCHEMBL3651603 | 0.84 | CA1 (0.47) | CES1ALDH1A1NR4A1NR4A2NR4A3 | |
| SCHEMBL3651604 | 0.84 | CA1 (0.47) | CES1ALDH1A1NR4A1NR4A2NR4A3 | |
| SCHEMBL7808441 | 0.82 | ALDH1A1 (0.48) | CES1PDPK1ALDH1A1NR4A1NR4A2 | |
| SCHEMBL7808443 | 0.82 | ALDH1A1 (0.48) | CES1PDPK1ALDH1A1NR4A1NR4A2 | |
| SCHEMBL25152805 | 0.81 | MEN1 (0.44) | CES1ALDH1A1NFE2L2CA2CES2 | |
| SCHEMBL14033874 | 0.81 | MEN1 (0.44) | CES1ALDH1A1NFE2L2CA2CES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0528172-A1 | (2-Alkyl-3-pyridyl)methylpiperazine derivatives as PAF antagonists | J. URIACH & CIA. S.A. (ES) | 1993-02-24 | — | — | EP | disclosed |