Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.36 |
| ▸ | RBP4 | P02753 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 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 | |
|---|---|---|---|---|
| SCHEMBL8632162 | 0.90 | HTR2C (0.39) | HTR2COPRL1RBP4GAATDP1 | |
| SCHEMBL8630399 | 0.88 | CYP1A2 (0.42) | HTR2COPRL1RBP4GAACYP2D6 | |
| SCHEMBL8630544 | 0.87 | CYP1A2 (0.38) | HTR2COPRL1RBP4GAACYP2D6 | |
| SCHEMBL8630384 | 0.86 | CYP1A2 (0.37) | HTR2COPRL1GAACYP2D6 | |
| SCHEMBL15604535 | 0.80 | HTR2C (0.53) | HTR2CRBP4GAATDP1HCRTR2 | |
| SCHEMBL29720917 | 0.70 | HTR2C (0.68) | HTR2CRBP4GAATDP1CYP2D6 | |
| SCHEMBL15156609 | 0.70 | HTR2C (0.68) | HTR2CRBP4GAATDP1CYP2D6 | |
| SCHEMBL24397803 | 0.70 | ATM (0.39) | TDP1CHRM2CYP2D6CHRM1KCNH2 | |
| SCHEMBL14864483 | 0.69 | OPRL1 (0.42) | OPRL1 | |
| SCHEMBL16191229 | 0.69 | HTR2C (0.56) | HTR2COPRL1KCNH2HCRTR2GRM2 |
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 |