Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.41 |
| ▸ | ESR1 | P03372 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TLR4 | O00206 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL8630822 | 0.95 | CYP2C9 (0.55) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8630819 | 0.95 | CYP2C9 (0.55) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8627313 | 0.91 | CYP2C9 (0.51) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8627308 | 0.91 | CYP2C9 (0.51) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8631253 | 0.90 | CYP2C9 (0.42) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8631261 | 0.90 | CYP2C9 (0.42) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10893199 | 0.87 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9159110 | 0.87 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9159091 | 0.87 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9159105 | 0.87 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 |