Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5568302 | 1.00 | KDM4E (0.48) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5568282 | 0.96 | KDM4E (0.45) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5568354 | 0.96 | KDM4E (0.45) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL7650915 | 0.85 | KDM4E (0.59) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7657397 | 0.85 | KDM4E (0.67) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| 2,2,2-Trifluoroethanaminium SCHEMBL8252511 | 0.84 | KDM4E (0.38) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5568891 | 0.83 | KDM4E (0.51) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5568286 | 0.82 | CTSK (0.34) | KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5569571 | 0.81 | KDM4E (0.34) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5569402 | 0.80 | KDM4E (0.48) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 |
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-6335360-B1 | INDOLINE-2-CARBOXYLIC AMIDE DERIVATIVES; OBESITY, EATING AND PSYCHOLOGICAL DISORDERS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2002-01-01 | — | — | US | disclosed |
| EP-1042288-A1 | TRIPEPTIDYL PEPTIDASE INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033801-A1 | TRIPEPTIDYL PEPTIDASE INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1999-07-08 | — | — | WO | disclosed |