Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.62 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.49 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.49 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4623799 | 0.85 | CYP1A2 (0.68) | CYP1A2PDE10ACYSLTR1CYSLTR2MEN1 | |
| SCHEMBL9229058 | 0.82 | CYP1A2 (0.55) | CYP1A2PDE10ACYSLTR1CYSLTR2MEN1 | |
| SCHEMBL725176 | 0.82 | PDE10A (0.54) | CYP1A2PDE10ACYSLTR1CYSLTR2GAA | |
| SCHEMBL2913941 | 0.81 | PDE10A (0.61) | CYP1A2PDE10ACYSLTR1CYSLTR2CYP3A4 | |
| SCHEMBL1163526 | 0.80 | CYP1A2 (0.57) | CYP1A2CYSLTR1CYSLTR2MEN1KMT2A | |
| Iodide SCHEMBL1343671 | 0.80 | PDE10A (0.53) | CYP1A2PDE10ACYSLTR1CYSLTR2GAA | |
| SCHEMBL14805320 | 0.80 | CYP1A2 (0.67) | CYP1A2CYSLTR1CYSLTR2MEN1KMT2A | |
| SCHEMBL29047068 | 0.80 | PDE10A (0.53) | CYP1A2PDE10ACYSLTR1CYSLTR2GAA | |
| SCHEMBL140815 | 0.78 | CYP1A2 (0.65) | CYP1A2CYSLTR1CYSLTR2MEN1KMT2A | |
| SCHEMBL7759112 | 0.78 | CYP1A2 (0.56) | CYP1A2CYSLTR1CYSLTR2MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107074804-A | Carbazole derivates | 百时美施贵宝公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-104910148-B | Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes | 西格诺药品有限公司 | 2017-06-27 | — | — | CN | disclosed |
| CN-104540806-B | Azaheterocycles as BIR2 and/or BIR3 inhibitors | 霍夫曼-拉罗奇有限公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-105209438-B | Phenoxyethyl dihydro-1H-isoquinoline compounds | 伊莱利利公司 | 2017-04-12 | — | — | CN | disclosed |
| EP-0247381-B1 | 5-FLUROROURACIL DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-08-04 | — | — | EP | disclosed |
| US-5047521-A | Anticarcinogenic agents | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-09-10 | — | — | US | disclosed |