Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7766399 | 0.86 | HTR2A (0.49) | HTR2AHTR2CHTR7HTR6SLC6A4 | |
| SCHEMBL8948192 | 0.85 | HTR1A (0.65) | HTR2AHTR2CHTR7HTR1A | |
| SCHEMBL8948074 | 0.84 | HTR1A (0.53) | HTR2ACYP3A4CYP2D6HTR2CHTR7 | |
| SCHEMBL8948011 | 0.84 | HTR1A (0.60) | HTR2ACYP3A4CYP2D6HTR2CHTR7 | |
| SCHEMBL8947933 | 0.83 | HTR1A (0.66) | HTR2ACYP3A4CYP2D6HTR2CHTR7 | |
| SCHEMBL8947994 | 0.83 | CYP1A2 (0.51) | HTR2ACYP3A4CYP2C9CYP2D6MEN1 | |
| SCHEMBL8947779 | 0.83 | KDM4E (0.54) | HTR2ACYP3A4CYP2D6HTR2CHTR7 | |
| SCHEMBL8947985 | 0.82 | KDM4E (0.58) | HTR2ACYP3A4CYP2D6HTR2CHTR7 | |
| SCHEMBL8948014 | 0.81 | HTR1A (0.52) | CYP3A4CYP2C9CYP2D6NFKB1THPO | |
| SCHEMBL8947974 | 0.81 | SIGMAR1 (0.64) | HTR2ACYP3A4CYP2D6HTR2CHTR7 |
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-0841330-B1 | Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them | ADIR (FR) | 2001-06-27 | — | — | EP | claimed |
| EP-0841330-A1 | Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1998-05-13 | — | — | EP | claimed |
| EP-0841330-A1 | Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1998-05-13 | — | — | EP | disclosed |