Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL31707789 | 0.87 | NPC1 (0.45) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23963498 | 0.83 | ELANE (0.50) | ELANE | |
| SCHEMBL28430334 | 0.83 | KDM4E (0.60) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13387623 | 0.81 | HPGD (0.48) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21395373 | 0.81 | NOS2 (0.48) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4405887 | 0.81 | CPS1 (0.44) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL271075 | 0.80 | GABRA1 (0.44) | KDM4EMAPTALDH1A1ABCG2HPGD | |
| SCHEMBL2982404 | 0.80 | CISD2 (0.40) | CYP2C9CYP2C19NPSR1GABRA1GABRG2 | |
| SCHEMBL23963502 | 0.80 | ELANE (0.40) | KDM4EMAPTMAPK1ELANEPOLB | |
| SCHEMBL4688965 | 0.79 | KDM4E (0.45) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118027018-A | Tetrahydrocyclopentyl [ c ] pyrrole methyl ketone derivative, preparation method and application thereof | 江苏恩华药业股份有限公司 | 2024-05-14 | — | — | CN | disclosed |