Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6416879 | 0.94 | HPGD (0.32) | HPGDMEN1KMT2A | |
| SCHEMBL5887320 | 0.92 | ACHE (0.33) | CYP2D6CYP2C9HPGDALOX15CYP2C19 | |
| SCHEMBL5887287 | 0.87 | ACHE (0.46) | HPGDNPSR1ALKBH3RAB9AMEN1 | |
| SCHEMBL5887105 | 0.85 | ESR2 (0.35) | — | |
| SCHEMBL5887199 | 0.85 | KMT2A (0.35) | HPGDRAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL5887155 | 0.82 | NOTUM (0.36) | — | |
| SCHEMBL6047646 | 0.82 | CYP2D6 (0.32) | CYP2D6CYP2C9HPGDALOX15CYP2C19 | |
| SCHEMBL5887426 | 0.81 | MEN1 (0.34) | CYP2D6CYP2C9HPGDALOX15CYP2C19 | |
| SCHEMBL5887667 | 0.81 | NPC1 (0.39) | PTGS2HPGDCYP2C19HSD17B10NR1H4 | |
| SCHEMBL5887353 | 0.80 | MEN1 (0.35) | HSD17B10ALKBH3RAB9AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | claimed |
| JP-2006501194-A | — | — | 2006-01-12 | — | — | JP | claimed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | claimed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | claimed |