Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.49 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.49 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.48 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.48 |
| ▸ | ITGAL | P20701 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.46 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.44 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6031320 | 1.00 | KDM4E (0.57) | KDM4EALDH1A1PKMPTGER3PTGDR | |
| SCHEMBL3081385 | 0.88 | ITGB2 (0.44) | KDM4EALDH1A1PKMITGB2ICAM1 | |
| SCHEMBL3081386 | 0.88 | ITGB2 (0.44) | KDM4EALDH1A1PKMITGB2ICAM1 | |
| SCHEMBL3085911 | 0.85 | MAOB (0.52) | KDM4EALDH1A1PKMITGB2ICAM1 | |
| SCHEMBL27894702 | 0.83 | S1PR1 (0.47) | KDM4EALDH1A1PKMITGB2ICAM1 | |
| SCHEMBL4408927 | 0.79 | MAOB (0.56) | ALDH1A1S1PR1NR4A2MAOBMAOA | |
| SCHEMBL3828084 | 0.77 | NPC1 (0.55) | ALDH1A1S1PR1NR4A2MAOBSMPD1 | |
| SCHEMBL3844659 | 0.77 | MAOB (0.52) | S1PR1NR4A2MAOBMAOA | |
| SCHEMBL1563615 | 0.76 | S1PR1 (0.55) | KDM4EALDH1A1PKMS1PR1NR4A2 | |
| SCHEMBL1564072 | 0.76 | HPGD (0.46) | S1PR1NR4A2MAOBMAOALMNA |
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-1806338-B1 | PROCESS FOR PRODUCING 2-AMINO-2-[2-[4-(3-BENZYLOXY-PHENYLTHIO)-2-CHLOROPHENYL[ETHYL]-1,3-PROPANEDIOL HYDROCHLORIDE AND HYDRATES THEREOF. AND INTERMEDIATES THE PRODUCTION THEREOF | KYORIN SEIYAKU KK (JP) | 2016-01-20 | — | — | EP | claimed |
| EP-2511262-B1 | PROCESS FOR PRODUCING 2-AMINO-2-[2-[4-(3-BENZYLOXY-PHENYLTHIO)-2-CHLOROPHENYL[ETHYL]-1,3-PROPANEDIOL HYDROCHLORIDE | KYORIN SEIYAKU KK (JP) | 2017-02-01 | — | — | EP | disclosed |
| WO-2006041019-A1 | PROCESS FOR PRODUCING 2-AMINO-2-[2-[4-(3-BENZYLOXYPHENYLTHIO)-2-CHLOROPHENYL]ETHYL]-1,3-PROPANEDIOL HYDROCHLORIDE OR HYDRATE THEREOF AND INTERMEDIATE FOR THE SAME | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2006-04-20 | — | — | WO | disclosed |