Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.63 |
| ▸ | CASP1 | P29466 | 3/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.53 |
| ▸ | CASP7 | P55210 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 4/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL37040 | 0.97 | CYP3A4 (0.67) | CYP3A4CASP1RECQLALOX15CASP7 | |
| Ammonia Solution, Strong SCHEMBL28274246 | 0.95 | CYP3A4 (0.63) | CYP3A4CASP1RECQLALOX15CASP7 | |
| Arsenic SCHEMBL28093858 | 0.95 | CYP3A4 (0.63) | CYP3A4CASP1RECQLALOX15CASP7 | |
| Hydrochloric Acid SCHEMBL28200602 | 0.95 | CYP3A4 (0.63) | CYP3A4CASP1RECQLALOX15CASP7 | |
| Benzene SCHEMBL28235529 | 0.95 | CYP3A4 (0.63) | CYP3A4CASP1RECQLALOX15CASP7 | |
| SCHEMBL21462842 | 0.92 | CYP3A4 (0.75) | CYP3A4CASP1RECQLALOX15CASP7 | |
| Propane SCHEMBL28203858 | 0.88 | CYP3A4 (0.55) | CYP3A4CASP1RECQLALOX15CASP7 | |
| SCHEMBL28179370 | 0.86 | ALDH1A1 (0.56) | CYP3A4CASP1RECQLALOX15CASP7 | |
| SCHEMBL5472428 | 0.86 | CYP3A4 (0.86) | CYP3A4CASP1RECQLSMN1; SMN2TSHR | |
| Phenol SCHEMBL28832302 | 0.84 | ALDH1A1 (0.58) | CYP3A4CASP1RECQLALOX15CASP7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109715728-A | Adduct and application thereof | 亨斯迈先进材料美国有限责任公司 | 2019-05-03 | — | — | CN | disclosed |