Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2237483 | 0.86 | TSHR (0.41) | TSHRDHFROPRM1 | |
| SCHEMBL21638945 | 0.84 | TSHR (0.43) | TSHRLMNASLC6A2OPRM1SLC6A3 | |
| SCHEMBL5139043 | 0.80 | TSHR (0.43) | TSHRCA1LMNACA2CA9 | |
| SCHEMBL9720395 | 0.76 | CA1 (0.41) | CA1CA2CA9OPRM1 | |
| SCHEMBL14697067 | 0.76 | TSHR (0.48) | TSHRCA1TACR1LMNAPOLB | |
| SCHEMBL8703206 | 0.74 | TSHR (0.50) | TSHRCA1TACR1POLBCA2 | |
| SCHEMBL28312015 | 0.73 | IDO1 (0.46) | LMNAKDM4E | |
| Cyclohexane SCHEMBL8149682 | 0.73 | TSHR (0.83) | TSHRCA1TACR1LMNAPOLB | |
| SCHEMBL17100019 | 0.72 | TSHR (0.52) | TSHRTACR1LMNADHFRCHRM2 | |
| SCHEMBL223907 | 0.71 | TSHR (0.78) | TSHRCA1TACR1LMNAPOLB |
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-2442809-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Incorporated (US) | 2012-04-25 | — | — | EP | disclosed |
| WO-2010148197-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-23 | — | — | WO | disclosed |