Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | PDE4A | P27815 | 1/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.59 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.56 |
| ▸ | PI4KA | P42356 | 1/20 | 0.56 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.56 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.56 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11459722 | 0.84 | HTT (0.64) | HTTHPGDRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL17933852 | 0.84 | ADORA2A (0.74) | HTTHPGDRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5125772 | 0.83 | HTT (0.73) | HTTHPGDRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5122955 | 0.80 | PDE4A (0.85) | HTTPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31088348 | 0.80 | HTT (0.68) | HTTHPGDRAB9ANPC1PDE4A | |
| SCHEMBL2049171 | 0.80 | RAB9A (1.00) | HTTHPGDRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL11463803 | 0.80 | HTT (0.56) | HTTHPGDRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1832682 | 0.77 | PDE4A (0.65) | HTTHPGDPDE4APDE4BPDE4C | |
| SCHEMBL29133991 | 0.77 | HPGD (0.80) | HTTHPGDRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL31711721 | 0.76 | HTT (0.75) | HTTHPGDRAB9ANPC1SMN1; SMN2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7330770-A | — | — | None | — | — | JP | disclosed |
| US-6448261-B1 | CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-09-10 | — | — | US | disclosed |
| EP-0901476-A4 | ARYLOXY- AND ARYLTHIO-FUSED PYRIDINES AND PYRIMIDINES AND DERIVATIVES | DU PONT PHARM CO (US) | 2001-08-16 | — | — | EP | disclosed |
| US-6258809-B1 | NERVOUS SYSTEM DISORDERS, ANTIDEPRESSANTS AND PSYCHIATRY | DUPONT PHARMACEUTICALS COMPANY | 2001-07-10 | — | — | US | disclosed |
| US-6124300-A | Aryloxy- and arylthio- fused pyridines and pyrimidines and derivatives | DUPONT PHARMACEUTICALS (US) | 2000-09-26 | — | — | US | disclosed |
| US-6107300-A | CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS (US) | 2000-08-22 | — | — | US | disclosed |
| EP-0901476-A1 | ARYLOXY- AND ARYLTHIO-FUSED PYRIDINES AND PYRIMIDINES AND DERIVATIVES | Du Pont Pharmaceuticals Company (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997035846-A1 | ARYLOXY- AND ARYLTHIO-FUSED PYRIDINES AND PYRIMIDINES AND DERIVATIVES | DUPONT PHARMACEUTICALS COMPANY (US) | 1997-10-02 | — | — | WO | disclosed |
| JP-H07330770-A | PURINE DERIVATIVE AND TREATING AGENT CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT | JAPAN ENERGY CORP | 1995-12-19 | — | — | JP | disclosed |