Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
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 SCHEMBL27877869 | 0.98 | TACR1 (0.50) | TACR1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL27999606 | 0.90 | TACR1 (0.43) | TACR1 | |
| SCHEMBL27897290 | 0.90 | TACR1 (0.43) | TACR1 | |
| SCHEMBL27897298 | 0.90 | TACR1 (0.43) | TACR1OPRM1OPRD1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL27894688 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28799160 | 0.89 | TACR1 (0.42) | TACR1OPRM1OPRD1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL27999609 | 0.89 | — | — | |
| SCHEMBL18124091 | 0.86 | OPRM1 (0.51) | TACR1OPRM1OPRD1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL19990958 | 0.85 | OPRM1 (0.50) | TACR1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL27999604 | 0.81 | SLC6A2 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102766079-B | Pyrrolidine derivative, its preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2015-04-08 | — | — | CN | claimed |
| CN-102766079-A | Pyrrolidine derivative, its preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2012-11-07 | — | — | CN | claimed |
| CN-102766079-B | Pyrrolidine derivative, its preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2015-04-08 | — | — | CN | disclosed |
| CN-102766079-A | Pyrrolidine derivative, its preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2012-11-07 | — | — | CN | disclosed |