Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | ESR1 | P03372 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL11729954 | 0.81 | CYP3A4 (0.37) | CYP3A4MAPK1ALOX15CHRM1MAOA | |
| SCHEMBL9849381 | 0.77 | CYP3A4 (0.55) | CYP3A4MAPK1ALOX15CHRM1MAOA | |
| SCHEMBL11318062 | 0.75 | TRPA1 (0.44) | CYP3A4MAPK1ALOX15TSHRTP53 | |
| SCHEMBL1157142 | 0.75 | CYP3A4 (0.46) | CYP3A4MAPK1ALOX15CHRM1MAOA | |
| SCHEMBL3787501 | 0.75 | CYP3A4 (0.46) | CYP3A4MAPK1ALOX15CHRM1MAOA | |
| SCHEMBL10494560 | 0.71 | CYP3A4 (0.43) | CYP3A4ALOX15TSHRTP53TDP1 | |
| SCHEMBL7640579 | 0.71 | PDE10A (0.48) | CYP3A4MAPK1ALOX15CHRM1MAOA | |
| SCHEMBL31440632 | 0.71 | CYP3A4 (0.42) | CYP3A4MAPK1ALOX15CHRM1MAOA | |
| SCHEMBL3684343 | 0.70 | TRPA1 (0.44) | CYP3A4MAPK1ALOX15CHRM1MAOA | |
| SCHEMBL10512501 | 0.70 | TRPA1 (0.44) | CYP3A4MAPK1ALOX15TSHRTP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4027018-A | INSECTICIDES, ACARACIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-05-31 | — | — | US | disclosed |
| US-4000270-A | INSECTIDES, ACARICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-28 | — | — | US | disclosed |
| US-3954919-A | INSECTICIDES, MITICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-04 | — | — | US | disclosed |