Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 2/20 | 0.36 |
| ▸ | FNTB | P49356 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9241561 | 0.99 | TACR1 (0.55) | TACR1SIGMAR1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL7886015 | 0.99 | TACR1 (0.55) | TACR1SIGMAR1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL8956731 | 0.99 | TACR1 (0.55) | TACR1SIGMAR1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL8874914 | 0.83 | SIGMAR1 (0.49) | TACR1SIGMAR1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL8956780 | 0.82 | TACR1 (0.38) | TACR1OPRM1OPRD1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL9242986 | 0.81 | TACR1 (0.43) | TACR1SIGMAR1OPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL9242969 | 0.81 | TACR1 (0.43) | TACR1SIGMAR1OPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL8956811 | 0.81 | TACR1 (0.43) | TACR1SIGMAR1OPRM1OPRD1OPRK1 | |
| SCHEMBL8874681 | 0.80 | SIGMAR1 (0.46) | TACR1SIGMAR1CHRM2CHRM4CHRM5 | |
| SCHEMBL9281012 | 0.80 | SIGMAR1 (0.43) | TACR1SIGMAR1CHRM2CHRM4CHRM5 |
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-0635002-B1 | NOVEL PERHYDROISOINDOLE DERIVATIVES AND PREPARATION THEREOF | RHONE POULENC RORER SA (FR) | 1998-07-22 | — | — | EP | claimed |
| US-5463077-A | Exhibit substance P antagonist activity | RHONE-POULENC RORER S.A. (FR) | 1995-10-31 | — | — | US | claimed |
| US-5463077-A | Exhibit substance P antagonist activity | RHONE-POULENC RORER S.A. (FR) | 1995-10-31 | — | — | US | disclosed |