Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | IDH2 | P48735 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8946064 | 0.99 | IDO1 (0.39) | PNMTRAPGEF4IDO1TDO2HTR2A | |
| SCHEMBL8946004 | 0.85 | ALOX5 (0.31) | CYP1A2CYP3A4CYP2C19MEN1CYP2C9 | |
| SCHEMBL9425406 | 0.81 | ALOX5 (0.33) | RAPGEF4IDO1TDO2CYP3A4SLC6A2 | |
| SCHEMBL10588478 | 0.80 | DPP4 (0.39) | — | |
| SCHEMBL30460663 | 0.77 | PNMT (0.47) | PNMTRAPGEF4IDO1TDO2KCNN4 | |
| SCHEMBL17465593 | 0.73 | CES2 (0.50) | PNMTIDO1TDO2HTR2AHTR2C | |
| SCHEMBL29600944 | 0.73 | CES2 (0.50) | PNMTIDO1TDO2HTR2AHTR2C | |
| SCHEMBL4524501 | 0.73 | CES2 (0.50) | PNMTIDO1TDO2HTR2AHTR2C | |
| SCHEMBL2538654 | 0.73 | CES2 (0.50) | PNMTIDO1TDO2HTR2AHTR2C | |
| SCHEMBL24017114 | 0.72 | PNMT (0.59) | PNMTIDO1TDO2HTR2AHTR2C |
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-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | claimed |