Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 7/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.42 |
| ▸ | LSS | P48449 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14198544 | 0.86 | LOXL2 (0.46) | MAPTLMNACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL28997882 | 0.78 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL27850508 | 0.77 | TAAR1 (0.50) | LMNAMMP12MMP13ALDH1A1 | |
| SCHEMBL28302086 | 0.75 | ADRB2 (0.57) | CYP3A4NPC1RAB9ADYRK1ACLK4 | |
| SCHEMBL1439245 | 0.75 | MKNK1 (0.61) | MAPTLMNACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL5226620 | 0.75 | MAPT (0.55) | MAPTLMNACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL8239917 | 0.75 | MAPT (0.59) | MAPTLMNACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL28865625 | 0.74 | HRH3 (0.32) | — | |
| SCHEMBL27364440 | 0.74 | CYP17A1 (0.51) | CYP17A1CYP11B1CYP11B2GSK3B | |
| SCHEMBL28153626 | 0.74 | ADRB2 (0.37) | TP53 |
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-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-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-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-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 |