Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.48 |
| ▸ | F10 | P00742 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 2/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21447979 | 0.81 | L3MBTL3 (0.52) | CYP3A4L3MBTL3 | |
| SCHEMBL785159 | 0.80 | F10 (0.51) | CHKAF10HRH3ITGB3ITGA2B | |
| SCHEMBL22837854 | 0.80 | NPY5R (0.53) | CYP3A4HRH3 | |
| SCHEMBL28179899 | 0.80 | CHKA (0.52) | CHKAADRB2NCF1PLD1CYP3A4 | |
| Hydrochloric Acid SCHEMBL27659479 | 0.79 | L3MBTL3 (0.50) | CYP3A4L3MBTL3 | |
| SCHEMBL5545660 | 0.79 | L3MBTL3 (0.43) | L3MBTL3CYP2D6 | |
| SCHEMBL8726331 | 0.79 | ADRB1 (0.50) | L3MBTL3CYP2D6 | |
| SCHEMBL48910 | 0.79 | CHKA (0.59) | CHKAADRB2NCF1PLD1KDM1A | |
| SCHEMBL7101162 | 0.78 | F10 (0.47) | CHKAADRB2NCF1PLD1F10 | |
| SCHEMBL28097122 | 0.78 | CYP3A4 (0.46) | CYP3A4L3MBTL3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501274-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-107501275-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-107629059-A | It can be used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107501274-A | It can be used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-107501275-A | It can be used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-104903325-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2017-10-20 | — | — | CN | disclosed |
| EP-2536710-A2 | PIPERIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101304-A2 | PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-25 | — | — | WO | disclosed |