Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.39 |
| ▸ | TSHR | P16473 | 7/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | RECQL | P46063 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | THRB | P10828 | 3/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21600440 | 0.83 | ALDH1A1 (0.45) | CYP3A4TSHRTP53ALDH1A1ALOX15 | |
| SCHEMBL17739137 | 0.78 | CYP3A4 (0.33) | CYP3A4TSHRTP53ALDH1A1ALOX15 | |
| SCHEMBL18534544 | 0.78 | CYP3A4 (0.33) | CYP3A4TSHRTP53ALDH1A1ALOX15 | |
| SCHEMBL16627925 | 0.73 | TSHR (0.50) | CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL17739390 | 0.72 | LMNA (0.39) | CYP3A4TP53ALDH1A1LMNAHTT | |
| SCHEMBL17739398 | 0.72 | TAAR1 (0.33) | TDP1RECQLTHRBMEN1HTR2C | |
| SCHEMBL17739108 | 0.71 | GABRA1 (0.37) | CYP3A4 | |
| Guanidine SCHEMBL10918002 | 0.71 | THRB (0.44) | CYP3A4TSHRTP53ALDH1A1ALOX15 | |
| SCHEMBL17738734 | 0.69 | GABRA1 (0.32) | — | |
| SCHEMBL17739334 | 0.69 | GABRA1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |