Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29998636 | 0.76 | TAAR1 (0.45) | TAAR1HTR2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12344306 | 0.76 | ATM (0.40) | TAAR1SLC6A2SLC6A4SLC6A3HRH1 | |
| SCHEMBL11911981 | 0.76 | ATM (0.40) | TAAR1SLC6A2SLC6A4SLC6A3HRH1 | |
| SCHEMBL14663964 | 0.76 | ATM (0.40) | TAAR1SLC6A2SLC6A4SLC6A3HRH1 | |
| SCHEMBL14478240 | 0.76 | MAPK1 (0.39) | TAAR1SLC6A3HRH1CYP1A2CYP2D6 | |
| SCHEMBL30261324 | 0.75 | DPP4 (0.36) | TAAR1EPHX1 | |
| SCHEMBL29998966 | 0.75 | TAAR1 (0.48) | TAAR1HTR2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9583940 | 0.73 | AOC3 (0.52) | TAAR1HTR2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16447678 | 0.73 | KMT2A (0.43) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7715366 | 0.70 | NPSR1 (0.43) | EPHX1 |
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-5238955-A | Anticarcinogenic agents | ASTA PHARMA AG (DE) | 1993-08-24 | — | — | US | disclosed |
| US-5194644-A | Antitumor agents; treatment of leukemia | ASTA PHARMA AG (DE) | 1993-03-16 | — | — | US | disclosed |