Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.49 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.49 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28093052 | 0.86 | CES1 (0.38) | PLOD2RAB9ANPC1LMNASMN1; SMN2 | |
| SCHEMBL647632 | 0.81 | HSD17B10 (0.64) | HSD17B10RAB9ANPC1NAPRTLMNA | |
| SCHEMBL271808 | 0.80 | CES1 (0.54) | HSD17B10RAB9ANPC1NAPRTLMNA | |
| SCHEMBL4718567 | 0.79 | ALDH1A1 (0.57) | PLOD2PLOD3PLOD1LMNACYP1A2 | |
| SCHEMBL8370038 | 0.78 | TSHR (0.48) | HSD17B10NAPRTSMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL28286804 | 0.78 | CES1 (0.52) | HSD17B10RAB9ANPC1NAPRTLMNA | |
| SCHEMBL2455339 | 0.77 | NPC1 (0.49) | RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL28310619 | 0.77 | HCAR2 (0.43) | PLOD2PLOD3PLOD1ALDH1A1 | |
| SCHEMBL17541907 | 0.76 | HSD17B10 (0.53) | HSD17B10PLOD2PLOD3PLOD1RAB9A | |
| SCHEMBL28108729 | 0.75 | HSD17B10 (0.57) | HSD17B10PLOD2PLOD3PLOD1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105934435-B | Compounds useful as inhibitors of ATR kinase, preparation thereof, and radiolabeled derivatives thereof | 沃泰克斯药物股份有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-104136431-B | Pyridone and pyrimidone derivatives as plasma thromboplastin antecedent a inhibitor | 小野药品工业株式会社 | 2017-03-15 | — | — | CN | disclosed |
| CN-105934435-A | 2-amino-6-fluoro-N- [ 5-fluoro-pyridin-3-yl ] pyrazolo [1, 5-a ] pyrimidine-3-carboxamide compounds as ATR kinase inhibitors, their preparation, different solid forms, and radiolabeled derivatives thereof | 沃泰克斯药物股份有限公司 | 2016-09-07 | — | — | CN | disclosed |