Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 3/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.32 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.32 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.32 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.32 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.32 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.32 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7934122 | 0.87 | HSP90AA1 (0.34) | HSP90AA1KIF11 | |
| SCHEMBL3499284 | 0.86 | ALAD (0.35) | RXRARXRBVEGFACYP2C9 | |
| SCHEMBL7929501 | 0.86 | MCL1 (0.39) | RXRARXRBDHODHAKR1C2AKR1C1 | |
| SCHEMBL7972704 | 0.85 | KMO (0.40) | — | |
| SCHEMBL7975143 | 0.85 | CA12 (0.42) | RXRARXRBPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL7974920 | 0.85 | BCL2L1 (0.39) | — | |
| SCHEMBL7970423 | 0.84 | HAO1 (0.35) | DHODH | |
| SCHEMBL7931034 | 0.83 | MAPT (0.41) | RXRADHODHPRKAG1PRKAA1PRKAB1 | |
| SCHEMBL7931169 | 0.83 | CA12 (0.39) | RXRARXRBRXRGKIF11DHODH | |
| SCHEMBL7972312 | 0.83 | CCR5 (0.38) | RXRARXRB |
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-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |