Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.56 |
| ▸ | TOP2A | P11388 | 1/20 | 0.42 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769320 | 0.79 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3KCNH2HTR2A | |
| SCHEMBL9664389 | 0.75 | SLC6A4 (0.72) | SLC6A4SLC6A2SLC6A3HTR2AAOC3 | |
| SCHEMBL9769381 | 0.70 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3KCNH2HTR2A | |
| SCHEMBL9522198 | 0.70 | TOP2A (0.45) | SLC6A4SLC6A2SLC6A3TOP2ATOP2B | |
| SCHEMBL9769371 | 0.70 | SLC6A4 (0.57) | SLC6A4SLC6A2SLC6A3KMT2ASMN1; SMN2 | |
| SCHEMBL9665701 | 0.69 | SLC6A4 (0.63) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL9769327 | 0.68 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3KCNH2HTR2A | |
| SCHEMBL681660 | 0.67 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL7996347 | 0.66 | — | — | |
| SCHEMBL2681 | 0.66 | MAPK1 (0.42) | SLC6A4SLC6A2SLC6A3KCNH2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5030647-A | Anti-inflammatory thienylbenzylamine compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1991-07-09 | — | — | US | disclosed |