Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24946064 | 0.85 | TDP1 (0.31) | TDP1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL14586293 | 0.79 | PTGER1 (0.32) | — | |
| SCHEMBL967657 | 0.77 | — | — | |
| SCHEMBL14618042 | 0.76 | EPHX1 (0.36) | TDP1ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL13684338 | 0.76 | CA1 (0.38) | TDP1TSHRCYP2D6NFKB1 | |
| SCHEMBL23676016 | 0.74 | CHRNB2 (0.33) | TDP1ALDH1A1TSHRHSD17B10CHRNB2 | |
| SCHEMBL7365542 | 0.74 | TDP1 (0.34) | TDP1 | |
| SCHEMBL303868 | 0.74 | — | — | |
| SCHEMBL9720284 | 0.74 | TDP1 (0.38) | TDP1ALDH1A1TSHRHSD17B10CHRM2 | |
| SCHEMBL14913051 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016199761-A1 | DIFLUOROMETHYLENE COMPOUNDS | 石原産業株式会社 | 2016-12-15 | — | — | WO | disclosed |
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |