Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 8/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL8630399 | 0.92 | CYP1A2 (0.42) | HTR2COPRL1CYP2C9RBP4BCHE | |
| SCHEMBL8630544 | 0.91 | CYP1A2 (0.38) | HTR2COPRL1CYP2C9RBP4BCHE | |
| SCHEMBL8630369 | 0.90 | HTR2C (0.40) | HTR2COPRL1RBP4GAATDP1 | |
| SCHEMBL8630384 | 0.90 | CYP1A2 (0.37) | HTR2COPRL1CYP2C9BCHEGAA | |
| SCHEMBL9237861 | 0.76 | HTR2C (0.39) | HTR2COPRL1CYP2C9RBP4ALDH1A1 | |
| SCHEMBL7914033 | 0.75 | HTR2C (0.38) | HTR2COPRL1CYP2C9RBP4ALDH1A1 | |
| SCHEMBL10611692 | 0.73 | HTR2C (0.53) | HTR2CRBP4GAATDP1ALDH1A1 | |
| SCHEMBL7148263 | 0.73 | OPRL1 (0.44) | OPRL1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL4650755 | 0.73 | CYP2C9 (0.44) | OPRL1CYP2C9BCHEALDH1A1LMNA | |
| SCHEMBL9639405 | 0.73 | CYP2C9 (0.44) | OPRL1CYP2C9BCHEALDH1A1LMNA |
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 |