Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.40 |
| ▸ | TSHR | P16473 | 7/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL66253 | 0.83 | ERN1 (0.39) | HSD17B10TSHRCYP3A4HPGDMAPK1 | |
| SCHEMBL31506484 | 0.77 | CYP3A4 (0.55) | HSD17B10TSHRCYP3A4HPGDMAPK1 | |
| SCHEMBL581831 | 0.77 | CYP3A4 (0.55) | HSD17B10TSHRCYP3A4HPGDMAPK1 | |
| SCHEMBL14113092 | 0.75 | DPP4 (0.37) | HSD17B10TSHRCYP3A4MAPK1DPP4 | |
| SCHEMBL18893999 | 0.75 | DAO (0.34) | HPGDALDH1A1TDP1RECQLDAO | |
| SCHEMBL24069857 | 0.75 | ALDH1A1 (0.41) | HSD17B10TSHRCYP3A4MAPK1DPP4 | |
| SCHEMBL18894025 | 0.75 | DPP4 (0.37) | HSD17B10TSHRCYP3A4MAPK1DPP4 | |
| SCHEMBL12886366 | 0.75 | ALDH1A1 (0.40) | CYP3A4ALDH1A1DAOTNFRIPK1 | |
| SCHEMBL101941 | 0.75 | CA1 (0.38) | HSD17B10TSHRCYP3A4HPGDMAPK1 | |
| SCHEMBL28056186 | 0.75 | ALDH1A1 (0.38) | HSD17B10TSHRCYP3A4HPGDMAPK1 |
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-0872476-B1 | Herbicidal substance based on 2,6-dichloro-3-fluoro-benzonitrile and new intermediate compounds | BAYER AG (DE) | 2002-07-03 | — | — | EP | claimed |
| WO-2016059242-A2 | TRACERS | INSTITUTT FOR ENERGITEKNIKK (NO) | 2016-04-21 | — | — | WO | disclosed |
| US-4060562-A | SULFUR CONTAINING CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-29 | — | — | US | disclosed |