Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 1/20 | 0.60 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.60 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6580973 | 0.86 | KCNQ3 (0.45) | KCNQ3KCNQ2TAS1R3TAS1R1RAB9A | |
| SCHEMBL30622675 | 0.85 | HDAC3 (0.62) | TAS1R3TAS1R1RAB9ANPC1USP2 | |
| SCHEMBL17141817 | 0.85 | HDAC3 (0.62) | TAS1R3TAS1R1RAB9ANPC1USP2 | |
| SCHEMBL4898577 | 0.84 | MAPK1 (0.67) | KCNQ3KCNQ2RAB9ANPC1USP2 | |
| SCHEMBL6582492 | 0.84 | HTT (0.65) | KCNQ3KCNQ2TAS1R3TAS1R1RAB9A | |
| SCHEMBL30622701 | 0.84 | HTT (0.65) | KCNQ3KCNQ2TAS1R3TAS1R1RAB9A | |
| SCHEMBL6582881 | 0.83 | KCNQ3 (0.54) | KCNQ3KCNQ2TAS1R3TAS1R1RAB9A | |
| Hydrochloric Acid SCHEMBL6510141 | 0.83 | HTT (0.63) | KCNQ3KCNQ2TAS1R3TAS1R1RAB9A | |
| SCHEMBL2562449 | 0.82 | LMNA (0.67) | KCNQ3KCNQ2RAB9ANPC1USP2 | |
| SCHEMBL6509070 | 0.81 | POLB (0.65) | TAS1R3TAS1R1RAB9ANPC1USP2 |
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-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| 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 |