Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11543977 | 0.87 | PTGDR2 (0.40) | CYP1A2CYP3A4PPARAMAPK14P2RX3 | |
| SCHEMBL11507387 | 0.81 | CYP1A2 (0.50) | CYP1A2ABCB11CYP3A4TSHRHTR2A | |
| SCHEMBL31294683 | 0.80 | MAPT (0.41) | CYP1A2CYP3A4TSHRALDH1A1MAPT | |
| SCHEMBL11544106 | 0.79 | MAOA (0.39) | CYP1A2ABCB11CYP3A4TSHRHTR2A | |
| SCHEMBL11546454 | 0.78 | MAPK14 (0.38) | CYP3A4HTR2APPARAMAPK14MAOA | |
| SCHEMBL11547739 | 0.77 | SCN9A (0.41) | CYP1A2ABCB11CYP3A4TSHRHTR2A | |
| SCHEMBL22439742 | 0.76 | PPARA (0.45) | CYP1A2CYP3A4PPARAMAPK14MAOA | |
| SCHEMBL11506945 | 0.75 | CYP2C9 (0.44) | CYP1A2ABCB11CYP3A4TSHRHTR2A | |
| SCHEMBL21991523 | 0.75 | PPARA (0.58) | CYP1A2ABCB11CYP3A4TSHRHTR2A | |
| SCHEMBL22407020 | 0.74 | MAPK14 (0.40) | CYP1A2ABCB11CYP3A4TSHRHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4151302-A | Araliphatic dihalogen compounds composition and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-04-24 | — | — | US | disclosed |
| US-4057647-A | Araliphatic dihalogen compounds and process for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-11-08 | — | — | US | disclosed |