Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | TACR1 | P25103 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL17320197 | 0.87 | TACR1 (0.42) | TSHRTACR1KDM4EPOLBALDH1A1 | |
| SCHEMBL20625170 | 0.86 | TACR1 (0.44) | TSHRTACR1KDM4EPOLBALDH1A1 | |
| SCHEMBL18989481 | 0.85 | TSHR (0.50) | TSHRTACR1KDM4EPOLBALDH1A1 | |
| SCHEMBL13291870 | 0.83 | TSHR (0.48) | TSHRTACR1KDM4EPOLBALDH1A1 | |
| SCHEMBL5423335 | 0.83 | TSHR (0.48) | TSHRTACR1KDM4EPOLBALDH1A1 | |
| SCHEMBL3337780 | 0.83 | TSHR (0.48) | TSHRTACR1KDM4EPOLBALDH1A1 | |
| SCHEMBL28289739 | 0.81 | TACR1 (0.43) | TSHRTACR1KDM4EPOLBALDH1A1 | |
| SCHEMBL20625169 | 0.81 | SMN1; SMN2 (0.51) | TSHRTACR1POLBALDH1A1 | |
| SCHEMBL20625166 | 0.81 | TACR1 (0.40) | TSHRTACR1KDM4EPOLBALDH1A1 | |
| SCHEMBL20625168 | 0.81 | TACR1 (0.40) | TSHRTACR1ALDH1A1OPRM1OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018067704-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2018-04-12 | — | — | WO | disclosed |