Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5049092 | 0.77 | GSK3B (0.49) | GSK3BGCGRMAPK14PTGS1PTGS2 | |
| SCHEMBL6047592 | 0.75 | ALOX5 (0.44) | GSK3BMEN1HPGDKMT2ASMN1; SMN2 | |
| SCHEMBL27718711 | 0.70 | GCGR (0.44) | GSK3BGCGRMAPK14MEN1HPGD | |
| SCHEMBL6627488 | 0.68 | KDM4E (0.61) | SMN1; SMN2CYP1A2CYP2E1CYP2D6CYP2A6 | |
| SCHEMBL22230061 | 0.66 | PDE10A (0.51) | GSK3BPTGS1PTGS2ABL1NAAA | |
| SCHEMBL12864158 | 0.65 | NAAA (0.47) | PTGS1PTGS2ABL1NAAACYP1A2 | |
| SCHEMBL21180023 | 0.64 | ERN1 (0.44) | PTGS1PTGS2ABL1NAAASMN1; SMN2 | |
| SCHEMBL6291800 | 0.64 | NAAA (0.46) | GSK3BPTGS1PTGS2ABL1NAAA | |
| SCHEMBL27892826 | 0.64 | CYP1A2 (0.51) | GCGRMAPK14PTGS1PTGS2NAAA | |
| SCHEMBL2247267 | 0.64 | HDAC6 (0.63) | PTGS2HPGDSMN1; SMN2CYP1A2CYP2C19 |
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 |