Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4386766 | 0.88 | NPC1 (0.72) | NPC1RAB9ADRD2SIGMAR1ALOX5 | |
| SCHEMBL4386065 | 0.82 | FKBP1A (0.63) | NPC1RAB9ADRD2SIGMAR1SMN1; SMN2 | |
| SCHEMBL4378637 | 0.73 | NPC1 (0.64) | NPC1RAB9ASIGMAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14218056 | 0.72 | SIGMAR1 (0.60) | NPC1RAB9ADRD2SIGMAR1ALOX5 | |
| SCHEMBL4377239 | 0.72 | MAPK1 (0.67) | SMN1; SMN2FKBP1AALDH1A1TP53ALOX15 | |
| SCHEMBL12832642 | 0.70 | CALM1 (0.59) | ALOX5CALM1ALDH1A1ALOX15 | |
| SCHEMBL4377878 | 0.69 | SIGMAR1 (0.61) | NPC1RAB9ASIGMAR1HRH3FKBP1A | |
| SCHEMBL8062950 | 0.68 | ALOX15 (0.60) | SIGMAR1ALOX5CALM1SMN1; SMN2ALDH1A1 | |
| SCHEMBL18361600 | 0.68 | ALOX5 (0.60) | RAB9AALOX5CALM1ALDH1A1CYP3A4 | |
| SCHEMBL29191723 | 0.68 | ALOX5 (0.56) | ALOX5CALM1ALDH1A1CYP3A4ALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1421071-B1 | SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS | HIGH POINT PHARMACEUTICALS LLC (US) | 2009-11-18 | — | — | EP | disclosed |