Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18475409 | 0.82 | SIGMAR1 (0.45) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL6932504 | 0.80 | L3MBTL1 (0.57) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL2096552 | 0.80 | HTT (0.51) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL13621464 | 0.80 | TAAR1 (0.57) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL7039441 | 0.80 | HTT (0.51) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL13621571 | 0.80 | TAAR1 (0.57) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL18065741 | 0.80 | HTT (0.51) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL1541692 | 0.80 | TAAR1 (0.57) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL3511543 | 0.80 | HTT (0.56) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL12971335 | 0.78 | KCNH2 (0.48) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4507500-A | REACTING A MERCAPTOTHIAZOLINE WITH A HALOGENOETHYLAMINE HYDROHALIDE | MITSUI TOATSU CHEMICALS, INC. (JP) | 1985-03-26 | — | — | US | claimed |
| EP-0044203-B1 | PROCESS FOR PRODUCING 2-MERCAPTOETHYLAMINE HYDROHALIDES | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1984-06-20 | — | — | EP | claimed |
| EP-0044203-A1 | Process for producing 2-mercaptoethylamine hydrohalides | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1982-01-20 | — | — | EP | claimed |