Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 15/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 12/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769323 | 0.78 | SLC6A4 (0.38) | SLC6A4SLC6A2SLC6A3KMT2AALDH1A1 | |
| SCHEMBL27634374 | 0.77 | ALDH1A1 (0.39) | SLC6A4SLC6A2SLC6A3KMT2AALDH1A1 | |
| SCHEMBL9769381 | 0.73 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3KMT2AALDH1A1 | |
| SCHEMBL29729780 | 0.73 | ALDH1A1 (0.57) | SLC6A4SLC6A2SLC6A3KMT2AALDH1A1 | |
| SCHEMBL125255 | 0.73 | ALDH1A1 (0.57) | SLC6A4SLC6A2SLC6A3KMT2AALDH1A1 | |
| SCHEMBL5973653 | 0.69 | S1PR4 (0.36) | KMT2AALDH1A1HTTRAB9ASMN1; SMN2 | |
| SCHEMBL9769205 | 0.68 | SLC6A4 (0.56) | SLC6A4SLC6A2SLC6A3KMT2AALDH1A1 | |
| SCHEMBL30589200 | 0.68 | SLC6A4 (0.63) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 | |
| SCHEMBL3158472 | 0.68 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3KMT2AALDH1A1 | |
| SCHEMBL8680742 | 0.68 | SLC6A4 (0.63) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 |
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 |