Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5887426 | 0.91 | MEN1 (0.34) | HSP90AA1HSP90AB1TP53NPC1ALDH1A1 | |
| SCHEMBL5887653 | 0.88 | FFAR2 (0.40) | HSP90AA1HSP90AB1NPC1KDM4ESLC6A4 | |
| SCHEMBL5887667 | 0.88 | NPC1 (0.39) | HSP90AA1HSP90AB1TP53NPC1TSHR | |
| SCHEMBL5887589 | 0.87 | APEX1 (0.36) | HSP90AA1HSP90AB1TP53NPC1RAB9A | |
| SCHEMBL6416879 | 0.84 | HPGD (0.32) | HSP90AA1HSP90AB1TP53MEN1KMT2A | |
| SCHEMBL5887143 | 0.79 | PTGS2 (0.35) | ALDH1A1RAB9AHSD17B10MEN1KMT2A | |
| SCHEMBL5887155 | 0.78 | NOTUM (0.36) | NPC1TSHRSLC6A3SMN1; SMN2MAPT | |
| SCHEMBL5887750 | 0.78 | MAPK10 (0.38) | HSP90AA1HSP90AB1CYP2A6HTR7MAPT | |
| SCHEMBL5887347 | 0.77 | MEN1 (0.35) | TP53MEN1KMT2AMAPT | |
| SCHEMBL5887288 | 0.76 | ALDH1A3 (0.41) | ALDH1A1KDM4ECNR1SMN1; SMN2L3MBTL1 |
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 |