Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3692372 | 1.00 | HTR2A (0.60) | HTR2AALDH1A1TDP1SLC6A2SLC6A4 | |
| SCHEMBL1989430 | 0.88 | CYP2A6 (0.57) | HTR2AALDH1A1TDP1MAPK1CYP2A6 | |
| SCHEMBL19669010 | 0.87 | ALDH1A1 (0.71) | HTR2AALDH1A1TDP1SLC6A2SLC6A4 | |
| SCHEMBL16229373 | 0.87 | ALDH1A1 (0.71) | HTR2AALDH1A1TDP1SLC6A2SLC6A4 | |
| SCHEMBL2956444 | 0.85 | SLC6A2 (0.63) | HTR2ASLC6A2SLC6A4SLC6A3HDAC1 | |
| SCHEMBL13721485 | 0.85 | HTR2A (0.47) | HTR2AALDH1A1TDP1SLC6A2SLC6A4 | |
| SCHEMBL18481572 | 0.83 | CYP2A6 (0.54) | HTR2ASLC6A2SLC6A4SLC6A3CYP2A6 | |
| SCHEMBL144 | 0.82 | SLC6A2 (0.67) | HTR2ASLC6A2SLC6A4SLC6A3MAPK1 | |
| SCHEMBL11576225 | 0.81 | HTR2A (0.58) | HTR2AALDH1A1TDP1SLC6A2SLC6A4 | |
| SCHEMBL24238343 | 0.79 | HTR2A (0.61) | HTR2AALDH1A1TDP1SLC6A2SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7531573-B2 | potent, selective and safe inhibitors of the Ca2+-activated potassium channel | CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2009-05-12 | — | — | US | disclosed |
| US-7531573-B2 | potent, selective and safe inhibitors of the Ca2+-activated potassium channel | CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2009-05-12 | — | — | US | disclosed |