Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7234655 | 0.84 | TAAR1 (0.41) | TAAR1ALDH1A1CYP2D6ABCB11CYP3A4 | |
| SCHEMBL11416597 | 0.82 | — | — | |
| SCHEMBL1078010 | 0.82 | CA1 (0.34) | CYP1A2CYP2A6CA1CA2CA7 | |
| SCHEMBL7482706 | 0.81 | ABCB11 (0.37) | TAAR1ALDH1A1ABCB11HTR2A | |
| SCHEMBL27999512 | 0.77 | PDE2A (0.37) | CYP1A2ALDH1A1RAB9ACYP3A4 | |
| SCHEMBL11567095 | 0.76 | CA4 (0.39) | CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL10990313 | 0.75 | MMP13 (0.33) | ABCB11HTR2A | |
| SCHEMBL15066961 | 0.73 | ALDH1A1 (0.41) | CYP1A2CYP2A6CA1CA2CA7 | |
| SCHEMBL4573904 | 0.73 | ALDH1A1 (0.48) | CYP1A2CYP2A6CA1CA2CA7 | |
| SCHEMBL15352571 | 0.72 | NPSR1 (0.37) | CYP1A2CYP2A6CA1CA2CA7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106573931-A | Bet-protein inhibiting 3,4-dihydropyrido[2,3-b]pyrazinones with meta-substituted aromatic amino- or ether groups | 拜耳医药股份有限公司 | 2017-04-19 | — | — | CN | disclosed |
| US-5169958-A | Reacting, 3-amino-2-propen-1-ones with magnesium halide in solvent | BASF AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |
| EP-0480242-A2 | Method for the production of alpha,beta-unsaturated carbonyl compounds | BASF Aktiengesellschaft (DE) | 1992-04-15 | — | — | EP | disclosed |
| US-4578106-A | Herbicidal esters of 2-bromo-4-methylimidazole-5-carboxylic acid | STAUFFER CHEMICAL COMPANY (US) | 1986-03-25 | — | — | US | disclosed |
| US-4129587-A | ACRYLONITRILE WITH ORGANIC PHOSPHINITES OR PHOSPHONITES AS CATALYSTS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-12-12 | — | — | US | disclosed |