Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8570527 | 0.89 | HSP90AA1 (0.54) | HSP90AA1ALDH1A1CA12CA9MEN1 | |
| SCHEMBL7224406 | 0.81 | DAO (0.59) | KDM4EMAOBDAO | |
| SCHEMBL2312537 | 0.79 | DAO (0.61) | KDM4EALDH1A1CA12CA9MEN1 | |
| SCHEMBL7230617 | 0.79 | HSP90AA1 (0.43) | HSP90AA1KDM4EALDH1A1CA12CA9 | |
| SCHEMBL14906712 | 0.78 | DAO (0.59) | CA12CA9MEN1KMT2ADAO | |
| SCHEMBL28967631 | 0.77 | BRD4 (0.60) | HSP90AA1KDM4EALDH1A1CA12CA9 | |
| SCHEMBL507863 | 0.73 | DAO (0.55) | HSP90AA1MEN1KMT2ACYP1A2DAO | |
| SCHEMBL29356336 | 0.73 | DAO (0.55) | HSP90AA1MEN1KMT2ACYP1A2DAO | |
| SCHEMBL14906717 | 0.73 | CA12 (0.50) | KDM4EALDH1A1CA12CA9MEN1 | |
| SCHEMBL8630817 | 0.73 | LMNA (0.58) | KDM4EMEN1KMT2AMAPTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0708101-B1 | Piperidine derivatives, useful as neurokinin receptor antagonists | ADIR (FR) | 1998-12-09 | — | — | EP | disclosed |
| US-5652246-A | NEUROKININ RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS | ADIR ET COMPAGNIE (FR) | 1997-07-29 | — | — | US | disclosed |
| EP-0708101-A1 | Novel piperidine derivatives, useful as neurokinin receptor antagonists | ADIR ET COMPAGNIE (FR) | 1996-04-24 | — | — | EP | disclosed |