Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8630544 | 0.99 | CYP1A2 (0.38) | CYP1A2BCHEGAAMAPTHTR2C | |
| SCHEMBL8630399 | 0.95 | CYP1A2 (0.42) | CYP1A2BCHEGAAMAPTHTR2C | |
| SCHEMBL8632162 | 0.90 | HTR2C (0.39) | BCHEGAAMAPTHTR2COPRL1 | |
| SCHEMBL8630369 | 0.86 | HTR2C (0.40) | GAAHTR2COPRL1CYP2D6 | |
| SCHEMBL10611692 | 0.83 | HTR2C (0.53) | GAAHTR2CHPGD | |
| SCHEMBL9351503 | 0.77 | GRM2 (0.36) | CYP1A2GAAMAPTMEN1KMT2A | |
| SCHEMBL7911032 | 0.76 | HTR2C (0.36) | CYP1A2GAAMAPTHTR2COPRL1 | |
| SCHEMBL5676928 | 0.74 | OPRL1 (0.41) | CYP1A2GAAMAPTOPRL1MEN1 | |
| SCHEMBL9352573 | 0.74 | OPRL1 (0.41) | CYP1A2GAAMAPTOPRL1MEN1 | |
| SCHEMBL8416013 | 0.74 | BCHE (0.44) | CYP1A2BCHEGAAMAPTOPRL1 |
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 |