Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5887347 | 0.89 | MEN1 (0.35) | MEN1KMT2ATP53MAPTNR1H4 | |
| SCHEMBL5887625 | 0.88 | HSP90AA1 (0.36) | NPC1RAB9ATSHRHSD17B10MEN1 | |
| SCHEMBL5887653 | 0.87 | FFAR2 (0.40) | NPC1KMT2ASMN1; SMN2HSP90AA1HSP90AB1 | |
| SCHEMBL5887589 | 0.86 | APEX1 (0.36) | NPC1RAB9ASMN1; SMN2HSP90AA1HSP90AB1 | |
| SCHEMBL6416879 | 0.83 | HPGD (0.32) | HPGDMEN1KMT2AHSP90AA1HSP90AB1 | |
| SCHEMBL5887426 | 0.82 | MEN1 (0.34) | NPC1RAB9AHPGDTSHRHSD17B10 | |
| SCHEMBL5887199 | 0.81 | KMT2A (0.35) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL5887155 | 0.80 | NOTUM (0.36) | NPC1TSHRSMN1; SMN2MAPTSLC6A3 | |
| SCHEMBL6047579 | 0.78 | GRIA1 (0.31) | — | |
| SCHEMBL5887288 | 0.78 | ALDH1A3 (0.41) | SMN1; SMN2CNR1KDM4E |
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 |