Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 13/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8799968 | 0.82 | OPRM1 (0.35) | MAPTOPRM1 | |
| SCHEMBL9055459 | 0.78 | OPRD1 (0.41) | HTR2CAKR1B1HTR2AKDM1AOPRM1 | |
| SCHEMBL8800284 | 0.78 | OPRD1 (0.41) | HTR2CAKR1B1HTR2AKDM1AOPRM1 | |
| SCHEMBL9055539 | 0.77 | AKR1B1 (0.46) | AKR1B1 | |
| SCHEMBL11073318 | 0.72 | HTR2C (0.39) | HTR2CAKR1B1HTR2AOPRM1 | |
| Hydrochloric Acid SCHEMBL7330341 | 0.71 | HTR2C (0.39) | HTR2CAKR1B1HTR2AOPRM1 | |
| SCHEMBL8314962 | 0.71 | KDM4E (0.39) | AKR1B1MAPTOPRM1 | |
| SCHEMBL8316617 | 0.71 | KDM4E (0.39) | AKR1B1MAPTOPRM1 | |
| SCHEMBL7678322 | 0.70 | HTR2C (0.51) | HTR2CAKR1B1AKR1B10AKR1A1KDM1A | |
| SCHEMBL3742950 | 0.68 | HTR2C (0.46) | HTR2CAKR1B1AKR1B10AKR1A1KDM1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |