Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 5/20 | 0.35 |
| ▸ | MMP9 | P14780 | 5/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634659 | 0.99 | MMP2 (0.33) | MMP2MMP9MMP3CSNK1EMMP8 | |
| SCHEMBL8630877 | 0.94 | SLC10A2 (0.34) | CSNK1EOPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL8632114 | 0.88 | KDM1A (0.38) | KDM1AMAOAMAOB | |
| SCHEMBL8634390 | 0.82 | KDM1A (0.35) | KDM1AMAOAMAOB | |
| SCHEMBL10346699 | 0.78 | MMP2 (0.39) | MMP2MMP9MMP3MMP8MMP13 | |
| SCHEMBL9852458 | 0.78 | OPRM1 (0.39) | MMP2MMP9MMP3MMP8MMP13 | |
| SCHEMBL8780389 | 0.78 | MMP2 (0.40) | MMP2MMP9MMP3CSNK1EMMP8 | |
| SCHEMBL10527595 | 0.76 | MMP2 (0.38) | MMP2MMP9MMP3MMP8MMP13 | |
| SCHEMBL9313274 | 0.76 | KDM1A (0.35) | MMP2MMP9MMP3MMP8MMP13 | |
| SCHEMBL10337760 | 0.75 | CHRM3 (0.32) | OPRM1OPRD1OPRK1OPRL1MEN1 |
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-0449015-B1 | Difluoromethyl compounds and liquid criystal medium | MERCK PATENT GMBH (DE) | 1998-07-01 | — | — | EP | disclosed |
| EP-0449015-A2 | Difluoromethyl compounds and liquid criystal medium | MERCK PATENT GmbH (DE) | 1991-10-02 | — | — | EP | disclosed |