Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | TYMP | P19971 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6885497 | 0.88 | CYP1A2 (0.63) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| SCHEMBL21918532 | 0.84 | CYP1A2 (0.63) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| SCHEMBL119090 | 0.81 | CYP1A2 (0.56) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| SCHEMBL29360084 | 0.81 | CYP1A2 (0.56) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| SCHEMBL598230 | 0.81 | CYP1A2 (0.65) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| SCHEMBL10524314 | 0.81 | CYP1A2 (0.55) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| SCHEMBL598175 | 0.81 | CYP1A2 (0.65) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| SCHEMBL20788832 | 0.80 | HSD17B10 (0.58) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| SCHEMBL130783 | 0.79 | CYP1A2 (0.69) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| SCHEMBL14596478 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD |
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-106336414-B | A kind of nitogen-contained heterocycle derivant and its application in organic electroluminescence device | 长春海谱润斯科技有限公司 | 2018-08-17 | — | — | CN | disclosed |
| CN-106336414-A | Nitrogenous heterocyclic derivative, and application thereof in organic electroluminescent devices | 长春海谱润斯科技有限公司 | 2017-01-18 | — | — | CN | disclosed |
| US-20100236936-A1 | Aqueous,alkaline,cyanide-free bath for the galvanic deposition of zinc and zinc alloy coatings | ATOTECH DEUTSCHLAND GMBH (DE) | 2010-09-23 | — | — | US | disclosed |
| US-20100155257-A1 | Aqueous, alkaline, cyanide-free bath for the galvanic deposition of zinc alloy coatings | ATOTECH DEUTSCHLAND GMBH (DE) | 2010-06-24 | — | — | US | disclosed |
| US-4076830-A | TRANQUILIZERS, ANALGESICS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-02-28 | — | — | US | disclosed |