Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | TPO | P07202 | 1/20 | 0.33 |
| ▸ | EPX | P11678 | 1/20 | 0.33 |
| ▸ | LPO | P22079 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL610263 | 0.83 | PPARA (0.58) | TSHRABCB11CYP1A2CYP3A4HTR2A | |
| SCHEMBL2615506 | 0.74 | PPARA (0.46) | TSHRABCB11CYP1A2CYP3A4HTR2A | |
| SCHEMBL16800363 | 0.74 | PPARA (0.67) | TSHRABCB11CYP1A2CYP3A4HTR2A | |
| SCHEMBL2615505 | 0.74 | PPARA (0.46) | TSHRABCB11CYP1A2CYP3A4HTR2A | |
| SCHEMBL10279186 | 0.73 | GABRP (0.40) | CYP1A2CYP3A4PPARANOS3NOS2 | |
| SCHEMBL14290006 | 0.73 | PPARA (0.57) | TSHRABCB11CYP1A2CYP3A4HTR2A | |
| SCHEMBL17471316 | 0.72 | NOS3 (0.45) | NOS3NOS2CDK8HSD17B10KDM4E | |
| SCHEMBL11997722 | 0.72 | CDK8 (0.41) | TSHRABCB11CYP1A2CYP3A4HTR2A | |
| SCHEMBL14290101 | 0.72 | PPARA (0.44) | TSHRABCB11CYP1A2CYP3A4HTR2A | |
| SCHEMBL14290102 | 0.71 | FBP1 (0.47) | TSHRABCB11CYP1A2CYP3A4HTR2A |
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-2744804-B1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | HOFFMANN LA ROCHE (CH) | 2017-05-17 | — | — | EP | disclosed |
| WO-2013024078-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2013-02-21 | — | — | WO | disclosed |