Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7815931 | 0.99 | MAOB (0.41) | NPC1RAB9ACDK8PDGFRBMAOB | |
| SCHEMBL17279819 | 0.87 | NPC1 (0.50) | NPC1RAB9APDGFRBKDM4EALDH1A1 | |
| SCHEMBL27521486 | 0.86 | KARS1 (0.44) | CDK8KDM4EMEN1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL7808217 | 0.85 | NOS3 (0.44) | CDK8KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL7812451 | 0.83 | CDK8 (0.47) | NPC1RAB9ACDK8PDGFRBKDM4E | |
| SCHEMBL7141814 | 0.81 | CDK8 (0.49) | CDK8CXCR2 | |
| SCHEMBL7142078 | 0.80 | NPC1 (0.51) | NPC1RAB9ACXCR2KDM4EALDH1A1 | |
| SCHEMBL650259 | 0.80 | NPC1 (0.51) | NPC1RAB9ACXCR2KDM4EALDH1A1 | |
| SCHEMBL11771726 | 0.79 | KDM4E (0.50) | NPC1RAB9APDGFRBKDM4EALDH1A1 | |
| SCHEMBL8118912 | 0.79 | TAAR1 (0.46) | CDK8MAOBKDM4EMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | claimed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |