Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL40575 | 1.00 | — | — | |
| Benzene SCHEMBL28308118 | 1.00 | TP53 (0.58) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL11594885 | 1.00 | TP53 (0.58) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL31498535 | 0.97 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Hydrochloric Acid SCHEMBL5792976 | 0.97 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL9420959 | 0.97 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Bromide SCHEMBL7216374 | 0.97 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Ammonia Solution, Strong SCHEMBL479482 | 0.97 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Iodide SCHEMBL10910035 | 0.97 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Iodide SCHEMBL28827008 | 0.97 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110054541-B | Preparation method of deuterated aromatic compound | 安徽秀朗新材料科技有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-110054541-A | A kind of preparation method of deuterated aromatic compound | 安徽秀朗新材料科技有限公司 | 2019-07-26 | — | — | CN | disclosed |
| CN-109478595-A | Organic Thin Film Transistors, organic semiconductor film, compound, Organic Thin Film Transistors composition and Organic Thin Film Transistors manufacturing method | 富士胶片株式会社 | 2019-03-15 | — | — | CN | disclosed |
| CN-107001929-A | Electronic device | 默克专利有限公司 | 2017-08-01 | — | — | CN | disclosed |
| WO-2010021772-A1 | ALKYLATION SLURRY REACTOR | CATALYTIC DISTILLATION TECHNOLOGIES (US) | 2010-02-25 | — | — | WO | disclosed |
| WO-2010021773-A2 | REFORMATE BENZENE REDUCTION VIA ALKYLATION | CATALYTIC DISTILLATION TECNOLOGIES (US) | 2010-02-25 | — | — | WO | disclosed |
| CN-101287690-A | A method of making aromatic products | SHELL INT RESEARCH (NL) | 2008-10-15 | — | — | CN | disclosed |