Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.40 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16448226 | 0.85 | TDP1 (0.42) | OPRM1CYP2D6CYP1A2TSHRCYP3A4 | |
| SCHEMBL4059985 | 0.79 | TDP1 (0.43) | TSHRCYP3A4TDP1ALDH1A1HSD17B10 | |
| SCHEMBL29781200 | 0.79 | ALDH1A1 (0.40) | CYP2D6TSHRCYP3A4TDP1ALDH1A1 | |
| SCHEMBL17269797 | 0.78 | USP2 (0.41) | CYP2D6CYP1A2TSHRUSP2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL17262503 | 0.77 | USP2 (0.40) | CYP2D6CYP1A2TSHRUSP2ALDH1A1 | |
| SCHEMBL5804232 | 0.76 | OPRM1 (0.45) | OPRM1CYP2D6CYP1A2NPFFR1NPFFR2 | |
| SCHEMBL28171354 | 0.76 | OPRM1 (0.41) | OPRM1CYP2D6CYP1A2NPFFR1NPFFR2 | |
| SCHEMBL17269812 | 0.75 | TGM2 (0.37) | — | |
| SCHEMBL22634143 | 0.74 | OPRM1 (0.53) | OPRM1CYP2D6CYP1A2NPFFR1NPFFR2 | |
| SCHEMBL19466203 | 0.74 | ALDH1A1 (0.41) | OPRM1CYP2D6NPFFR1NPFFR2HDAC1 |
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-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |