Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | ACP3 | P15309 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3255966 | 0.86 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL29211313 | 0.82 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL40516 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL5012390 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL8326849 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL5010133 | 0.78 | SLC6A4 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL9300883 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL3543754 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL4851124 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL2992858 | 0.77 | SLC6A4 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112771061-A | CD73 inhibitor and pharmaceutical application thereof | 润佳（苏州）医药科技有限公司 | 2021-05-07 | — | — | CN | disclosed |
| EP-3411074-A2 | SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF | Suzhou M-conj Biotech Co., Ltd. (CN) | 2018-12-12 | — | — | EP | disclosed |
| CN-106432157-A | ORGANIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE | 株式会社半导体能源研究所 | 2017-02-22 | — | — | CN | disclosed |
| CN-103570482-B | A kind of 1,3-bis-replaces the preparation method of allenic compound | 北京大学 | 2016-06-08 | — | — | CN | disclosed |
| CN-102164905-B | Compounds, compositions, and uses thereof as hypoxia mimetics | BEIJING BETA PHARMA INC | 2014-04-30 | — | — | CN | disclosed |
| CN-103570482-A | Preparation method of 1,3-disubstituted allene compound | UNIV BEIJING | 2014-02-12 | — | — | CN | disclosed |
| CN-101115761-B | Prodrugs of 2,4-pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS INC | 2012-07-18 | — | — | CN | disclosed |
| CN-102358738-A | 2,4-pyrimidinediamine compounds and uses of treating or preventing autoimmune diseases thereof | RIGEL PHARMACEUTICALS INC | 2012-02-22 | — | — | CN | disclosed |
| CN-1849318-B | Method for preventing and treating autoimmune diseases using 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC | 2011-10-12 | — | — | CN | disclosed |
| CN-102164905-A | Compounds, compositions, and uses thereof as hypoxia mimetics | BEIJING BETA PHARMA INC | 2011-08-24 | — | — | CN | disclosed |
| US-20080207864-A1 | Organosilanes, Process For Production of the Same, and Use Thereof | SHARP KABUSHIKI KAISHA (JP) | 2008-08-28 | — | — | US | disclosed |
| CN-101115761-A | Prodrugs of 2,4-pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS INC (US) | 2008-01-30 | — | — | CN | disclosed |
| CN-1950382-A | Organosilanes, process for production of the same, and use thereof | SHARP KK (JP) | 2007-04-18 | — | — | CN | disclosed |
| CN-1849318-A | Method for preventing and treating autoimmune diseases using 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2006-10-18 | — | — | CN | disclosed |
| EP-0441226-A1 | (cyanomethyl)pyridines useful as PAF antagonists | J. URIACH & CIA. S.A. (ES) | 1991-08-14 | — | — | EP | disclosed |