Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | POLA1 | P09884 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9486358 | 0.81 | SIGMAR1 (0.46) | SIGMAR1SMN1; SMN2POLA1CYP2C19CYP2C9 | |
| SCHEMBL30327476 | 0.81 | SIGMAR1 (0.46) | SIGMAR1SMN1; SMN2POLA1CYP2C19CYP2C9 | |
| SCHEMBL7172371 | 0.76 | SMN1; SMN2 (0.56) | SIGMAR1SMN1; SMN2POLBPOLA1CYP2C19 | |
| SCHEMBL12400694 | 0.73 | TACR1 (0.42) | TACR1TACR3SIGMAR1CYP3A4 | |
| SCHEMBL315058 | 0.73 | SIGMAR1 (0.45) | SIGMAR1KDM4EPOLB | |
| SCHEMBL6583622 | 0.72 | POLA1 (0.46) | SIGMAR1POLBPOLA1CYP2C19CYP2C9 | |
| SCHEMBL14857215 | 0.71 | MTNR1A (0.49) | SMN1; SMN2 | |
| SCHEMBL7366006 | 0.70 | POLA1 (0.45) | SIGMAR1SMN1; SMN2POLBPOLA1CYP2C19 | |
| SCHEMBL20245480 | 0.70 | KDM4E (0.40) | KDM4EPOLB | |
| SCHEMBL30940163 | 0.69 | SMN1; SMN2 (0.59) | SMN1; SMN2POLBPOLA1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2220048-B1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2017-01-25 | — | — | EP | disclosed |
| WO-2009138386-A2 | ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-19 | — | — | WO | disclosed |
| WO-2009063061-A2 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-22 | — | — | WO | disclosed |