Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | KDM1A | O60341 | 5/20 | 0.54 |
| ▸ | ADH1B | P00325 | 2/20 | 0.44 |
| ▸ | ADH1C | P00326 | 2/20 | 0.44 |
| ▸ | ADH1A | P07327 | 2/20 | 0.44 |
| ▸ | ADH7 | P40394 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | ADH4 | P08319 | 1/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 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 | |
|---|---|---|---|---|
| SCHEMBL5884803 | 1.00 | TSHR (0.55) | TSHRALDH1A1KDM1AADH1BADH1C | |
| SCHEMBL20037699 | 0.98 | KDM1A (0.58) | TSHRALDH1A1KDM1AADH1BADH1C | |
| SCHEMBL22157514 | 0.98 | KDM1A (0.58) | TSHRALDH1A1KDM1AADH1BADH1C | |
| Hydrochloric Acid SCHEMBL22771742 | 0.98 | TSHR (0.52) | TSHRALDH1A1KDM1AADH1BADH1C | |
| Hydrochloric Acid SCHEMBL22771740 | 0.98 | TSHR (0.52) | TSHRALDH1A1KDM1AADH1BADH1C | |
| Hydrochloric Acid SCHEMBL28960716 | 0.96 | KDM1A (0.56) | TSHRALDH1A1KDM1AADH1BADH1C | |
| SCHEMBL619431 | 0.93 | — | — | |
| SCHEMBL619432 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28461895 | 0.91 | KDM1A (0.54) | TSHRALDH1A1KDM1AADH1BADH1C | |
| SCHEMBL2556426 | 0.85 | KDM1A (0.59) | TSHRALDH1A1KDM1ACYP1A2CYP2C19 |
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-7064236-B2 | Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds | GRUNENTHAL GMBH (DE) | 2006-06-20 | — | — | US | disclosed |