Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.64 |
| ▸ | HTR7 | P34969 | 6/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.62 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.62 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | DRD2 | P14416 | 4/20 | 0.60 |
| ▸ | HTR6 | P50406 | 3/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.58 |
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 SCHEMBL9030489 | 0.99 | HTR1A (0.63) | HTR1AHTR7OPRM1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL9049559 | 0.88 | OPRM1 (0.59) | HTR1AHTR7OPRM1OPRK1OPRL1 | |
| SCHEMBL7453440 | 0.87 | OPRM1 (0.54) | HTR1AHTR7OPRM1OPRK1OPRL1 | |
| SCHEMBL28937168 | 0.86 | HTR1A (0.73) | HTR1AHTR7OPRM1OPRK1OPRL1 | |
| SCHEMBL29535031 | 0.86 | HTR1A (0.73) | HTR1AHTR7OPRM1OPRK1OPRL1 | |
| SCHEMBL8557700 | 0.86 | MPO (0.71) | HTR1AHTR7OPRM1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL9044421 | 0.86 | OPRM1 (0.53) | HTR1AHTR7OPRM1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL9048175 | 0.86 | OPRM1 (0.57) | HTR1AHTR7OPRM1OPRK1OPRL1 | |
| SCHEMBL9032327 | 0.86 | ADRA1D (0.69) | SLC6A4KCNH2DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL9031120 | 0.85 | CYP1A2 (0.63) | HTR7OPRM1OPRK1OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | claimed |
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |