Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL15043685 | 0.98 | ALDH1A1 (0.59) | ALDH1A1SIGMAR1GAADRD2HTT | |
| SCHEMBL8290941 | 0.95 | ALDH1A1 (0.56) | ALDH1A1SIGMAR1GAADRD2HTT | |
| SCHEMBL8290942 | 0.93 | ALDH1A1 (0.55) | ALDH1A1SIGMAR1GAADRD2HTT | |
| SCHEMBL23269699 | 0.88 | ALDH1A1 (0.51) | ALDH1A1SIGMAR1DRD2KDM4ENPC1 | |
| SCHEMBL9043181 | 0.86 | ALDH1A1 (0.49) | ALDH1A1SIGMAR1GAADRD2HTT | |
| SCHEMBL16556533 | 0.85 | ALDH1A1 (0.49) | ALDH1A1SIGMAR1GAADRD2HTT | |
| SCHEMBL15043617 | 0.85 | ALDH1A1 (0.49) | ALDH1A1SIGMAR1MEN1KMT2ANPC1 | |
| SCHEMBL2648031 | 0.84 | ALDH1A1 (0.47) | ALDH1A1SIGMAR1GAADRD2HTT | |
| SCHEMBL19862568 | 0.84 | SIGMAR1 (0.55) | ALDH1A1SIGMAR1MEN1KMT2ANPC1 | |
| SCHEMBL2011012 | 0.82 | SIGMAR1 (0.64) | ALDH1A1SIGMAR1DRD2MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2001852-A2 | PROCESSES FOR THE PREPARATION OF 8-CHLORO-1-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE AND INTERMEDIATES RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007120517-A2 | PROCESSES FOR THE PREPARATION OF 8-CHLORO-1-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE AND INTERMEDIATES RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007015262-A2 | A PROCESS FOR THE PREPARATION OF (-)-TRANS-4-(P-FLUOROPHENYL)-3-[[3,4-(METHYLENEDIOXY)PHENOXY]METHYL)]PIPERIDINE | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2007-02-08 | — | — | WO | disclosed |
| EP-1597261-A1 | SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2005-11-23 | — | — | EP | disclosed |
| WO-2004074290-A1 | SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2004-09-02 | — | — | WO | disclosed |