Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4487975 | 0.80 | TSHR (0.48) | CYP3A4TSHRMEN1KMT2ATRPA1 | |
| SCHEMBL13889054 | 0.79 | SIGMAR1 (0.55) | MEN1KMT2ATRPA1SIGMAR1TAAR1 | |
| SCHEMBL21568873 | 0.79 | SIGMAR1 (0.48) | MEN1KMT2ASIGMAR1TAAR1SLC18A2 | |
| SCHEMBL10904320 | 0.79 | EPHX1 (0.55) | CYP3A4TSHR | |
| SCHEMBL25940688 | 0.78 | MEN1 (0.45) | MEN1KMT2ASIGMAR1TAAR1SLC18A2 | |
| SCHEMBL27210144 | 0.77 | TAAR1 (0.50) | MEN1KMT2ATRPA1SIGMAR1TAAR1 | |
| SCHEMBL17992755 | 0.75 | TAAR1 (0.57) | CYP3A4MEN1KMT2AKDM4ESIGMAR1 | |
| SCHEMBL7956903 | 0.75 | TAAR1 (0.57) | CYP3A4MEN1KMT2AKDM4ESIGMAR1 | |
| SCHEMBL13003087 | 0.75 | TAAR1 (0.56) | CYP3A4TSHRTRPA1SIGMAR1TAAR1 | |
| SCHEMBL27590846 | 0.75 | TAAR1 (0.56) | CYP3A4TSHRTRPA1SIGMAR1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0997474-B1 | Antithrombotic agents | PFIZER (US) | 2003-10-29 | — | — | EP | disclosed |