Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | 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 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 2/20 | 0.33 |
| ▸ | FNTB | P49356 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8543227 | 1.00 | SIGMAR1 (0.43) | SIGMAR1TACR1CHRM2CHRM4CHRM5 | |
| SCHEMBL8956750 | 1.00 | SIGMAR1 (0.43) | SIGMAR1TACR1CHRM2CHRM4CHRM5 | |
| SCHEMBL8893688 | 1.00 | SIGMAR1 (0.43) | SIGMAR1TACR1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL8895671 | 0.99 | SIGMAR1 (0.42) | SIGMAR1TACR1CHRM2CHRM4CHRM5 | |
| SCHEMBL8875107 | 0.87 | SIGMAR1 (0.42) | SIGMAR1TACR1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL8893607 | 0.87 | ALOX5AP (0.35) | SIGMAR1TACR1KMT2AHTR2CHTR2B | |
| SCHEMBL8874747 | 0.84 | SIGMAR1 (0.46) | SIGMAR1CHRM2CHRM4CHRM5CHRM1 | |
| Hydrochloric Acid SCHEMBL8956868 | 0.80 | MAOB (0.36) | HTR2AHTR2CHTR2B | |
| SCHEMBL8544913 | 0.80 | TACR1 (0.56) | SIGMAR1TACR1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL7886015 | 0.79 | TACR1 (0.55) | SIGMAR1TACR1CHRM2CHRM4CHRM5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5463077-A | Exhibit substance P antagonist activity | RHONE-POULENC RORER S.A. (FR) | 1995-10-31 | — | — | US | disclosed |