Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 2/20 | 0.45 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6578700 | 0.86 | KCNQ3 (0.60) | KCNQ3KCNQ2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL30622701 | 0.82 | HTT (0.65) | KCNQ3KCNQ2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL6582492 | 0.82 | HTT (0.65) | KCNQ3KCNQ2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL6581244 | 0.81 | LMNA (0.50) | KCNQ3KCNQ2TAS1R3TAS1R1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6510141 | 0.81 | HTT (0.63) | KCNQ3KCNQ2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL6581621 | 0.79 | TAS1R3 (0.47) | KCNQ3KCNQ2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL5637289 | 0.79 | THRA (0.58) | KCNQ3KCNQ2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL21974593 | 0.78 | KCNQ3 (0.58) | KCNQ3KCNQ2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL1128282 | 0.77 | CES2 (0.59) | KCNQ3KCNQ2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL29717191 | 0.77 | CES2 (0.59) | KCNQ3KCNQ2TAS1R3TAS1R1ALDH1A1 |
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 |