Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5909057 | 0.71 | CA12 (0.58) | ALDH1A1NPC1RAB9ACA12CA9 | |
| SCHEMBL14157778 | 0.70 | HPGDS (0.55) | ALDH1A1NPC1RAB9ACYP17A1CYP3A4 | |
| SCHEMBL9713054 | 0.68 | SMN1; SMN2 (0.67) | ALDH1A1CYP1A2CYP2C19CDK8 | |
| SCHEMBL18083916 | 0.67 | HDAC6 (0.60) | ALDH1A1CA12CA9RECQLKDM4E | |
| SCHEMBL4151138 | 0.67 | NR1H4 (0.61) | NPC1RAB9AMAPK14HPGD | |
| SCHEMBL9979308 | 0.67 | SMN1; SMN2 (0.48) | ALDH1A1RAB9ACA12CA9HPGD | |
| SCHEMBL1007936 | 0.67 | LCK (0.37) | ALDH1A1CYP3A4CYP2C19RECQLKDM4E | |
| SCHEMBL4671199 | 0.67 | CA1 (0.49) | ALDH1A1ALOX15CA12CA9HPGD | |
| SCHEMBL10851248 | 0.67 | ALOX5 (0.48) | ALDH1A1PDK2ALOX15NPC1RAB9A | |
| SCHEMBL29528307 | 0.67 | SMYD3 (0.59) | — |
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-0380355-B1 | Carbamates of 6-chloro-7,8-dihydroxy-1-(4'-Hydroxyphenyl)-2,3,4,5-tetra-hydro-1H-3-benzazepine as prodrugs | SMITHKLINE BEECHAM CORP (US) | 1995-01-11 | — | — | EP | disclosed |
| EP-0380355-A2 | Carbamates of 6-chloro-7,8-dihydroxy-1-(4'-Hydroxyphenyl)-2,3,4,5-tetra-hydro-1H-3-benzazepine as prodrugs | SMITHKLINE BEECHAM CORPORATION (US) | 1990-08-01 | — | — | EP | disclosed |
| US-4861771-A | Carbamates of 6-chloro-7,8-dihydroxy-1-(4'-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine as prodrugs | SMITHKLINE BECKMAN CORPORATION (US) | 1989-08-29 | — | — | US | disclosed |