Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | MLNR | O43193 | 7/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7297189 | 0.87 | EPHX1 (0.57) | KDM4ENPC1EPHX2CYP3A4KMT2A | |
| SCHEMBL3801054 | 0.83 | SPR (0.50) | KDM4ENPC1EPHX2ALDH1A1RAB9A | |
| SCHEMBL30775698 | 0.83 | LMNA (0.47) | KDM4EKMT2AALDH1A1LMNA | |
| SCHEMBL5969516 | 0.83 | EPHX2 (0.54) | KDM4ENPC1EPHX2CYP3A4KMT2A | |
| SCHEMBL27712618 | 0.82 | EPHX2 (0.59) | EPHX2MLNRKMT2ALMNARAB9A | |
| SCHEMBL16422849 | 0.82 | KMT2A (0.51) | KDM4ENPC1EPHX2MLNRCYP3A4 | |
| SCHEMBL377914 | 0.81 | ALDH1A1 (0.62) | KDM4ENPC1EPHX2MLNRCYP3A4 | |
| SCHEMBL27667155 | 0.81 | ACKR3 (0.51) | NPC1EPHX2KMT2AALDH1A1POLB | |
| SCHEMBL28774927 | 0.80 | MLNR (0.55) | KDM4EMLNRCYP3A4KMT2AALDH1A1 | |
| SCHEMBL22218771 | 0.79 | NPC1 (0.67) | NPC1CYP3A4CYP2D6KMT2AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1556045-B1 | 4-AMINOPIPERIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | UCB SA (BE) | 2006-08-02 | — | — | EP | claimed |
| CN-101258143-B | Benzylpiperazine derivatives and their medical use | GLAXO GROUP LTD | 2012-12-26 | — | — | CN | disclosed |
| WO-2009075960-A1 | CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-18 | — | — | WO | disclosed |
| CN-101258143-A | Benzylpiperazine derivatives and their medical use | GLAXO GROUP LTD (GB) | 2008-09-03 | — | — | CN | disclosed |