Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL17508194 | 0.81 | TDP1 (0.54) | TDP1ALDH1A1CASP1MAPTCYP3A4 | |
| SCHEMBL11280292 | 0.79 | ALDH1A1 (0.52) | TDP1ALDH1A1CASP1MAPTCYP3A4 | |
| SCHEMBL10700607 | 0.78 | TDP1 (0.46) | TDP1ALDH1A1CASP1MAPTCYP3A4 | |
| SCHEMBL11414048 | 0.78 | POLB (0.54) | ALDH1A1MAPTSMN1; SMN2POLBKMT2A | |
| SCHEMBL2855474 | 0.77 | TDP1 (0.52) | TDP1ALDH1A1CASP1MAPTCYP3A4 | |
| Hydrochloric Acid SCHEMBL1752687 | 0.77 | TDP1 (0.45) | TDP1ALDH1A1CASP1MAPTCYP3A4 | |
| SCHEMBL11320359 | 0.77 | GNG2 (0.53) | TDP1ALDH1A1MAPTALOX15KDM4E | |
| SCHEMBL11443273 | 0.75 | TDP1 (0.43) | TDP1ALDH1A1CASP1MAPTCYP3A4 | |
| SCHEMBL2081736 | 0.75 | TDP1 (0.57) | TDP1ALDH1A1MAPTCYP3A4KDM4E | |
| SCHEMBL17508325 | 0.75 | ALDH1A1 (0.53) | TDP1ALDH1A1CASP1MAPTCYP3A4 |
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-2576566-B1 | THIENO(2,3B)PYRAZINE COMPOUNDS AS B-RAF INHIBITORS | MERCK SHARP & DOHME (NL) | 2015-10-28 | — | — | EP | disclosed |
| WO-2011147764-A1 | THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS | N.V. ORGANON (NL) | 2011-12-01 | — | — | WO | disclosed |
| EP-1682717-B1 | METHOD FOR THE REACTIVE COLOURING OF LEATHER, DYESTUFFS AND THEIR USE | BASF SE (DE) | 2011-03-16 | — | — | EP | disclosed |