Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 4/20 | 0.44 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | AGER | Q15109 | 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 | |
|---|---|---|---|---|
| SCHEMBL2517808 | 0.97 | — | — | |
| SCHEMBL1338455 | 0.80 | HRH3 (0.35) | TAAR1IDO1ALDH1A1 | |
| SCHEMBL1314502 | 0.74 | TAAR1 (0.64) | CYP2A6TAAR1HTR2AIDO1 | |
| Fluoride SCHEMBL27921066 | 0.73 | CYP2A6 (0.89) | CYP2A6TAAR1HTR2AIDO1ALDH1A1 | |
| SCHEMBL2702074 | 0.73 | TRPA1 (0.50) | ALDH1A1 | |
| Fluoride SCHEMBL29026731 | 0.73 | ALDH1A1 (0.50) | CYP2A6TAAR1HTR2AIDO1PYCR1 | |
| SCHEMBL5183493 | 0.72 | TAAR1 (0.42) | CYP2A6TAAR1HTR2AIDO1PYCR1 | |
| SCHEMBL30330993 | 0.71 | CYP2A6 (0.57) | CYP2A6TAAR1HTR2AIDO1ALDH1A1 | |
| SCHEMBL9510277 | 0.71 | HRH3 (0.47) | TAAR1IDO1 | |
| SCHEMBL626076 | 0.71 | TAAR1 (0.68) | CYP2A6TAAR1HTR2AIDO1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109810568-A | Inorganic nano material prints ink and its preparation method and application | TCL集团股份有限公司 | 2019-05-28 | — | — | CN | claimed |
| CN-110343050-A | Aromatic compounds and its preparation method and application | 上海键合医药科技有限公司 | 2019-10-18 | — | — | CN | disclosed |
| CN-105712928-A | 2-Substituted-oxy-5-methylsulfonyl pyridine piperazine acidamide analogue and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2016-06-29 | — | — | CN | disclosed |