Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.38 |
| ▸ | CHRNG | P07510 | 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 | |
|---|---|---|---|---|
| SCHEMBL10920698 | 1.00 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2NPC1CASP3RAB9A | |
| SCHEMBL25219122 | 1.00 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2NPC1CASP3RAB9A | |
| SCHEMBL30565603 | 0.84 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1CASP3RAB9A | |
| SCHEMBL25268347 | 0.84 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1CASP3RAB9A | |
| SCHEMBL9772448 | 0.84 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2NPC1CASP3RAB9A | |
| SCHEMBL24371911 | 0.84 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1CASP3RAB9A | |
| Hydrochloric Acid SCHEMBL10920702 | 0.82 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NPC1CASP3RAB9A | |
| SCHEMBL11497281 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL10922688 | 0.80 | ACP3 (0.45) | ALDH1A1SLC6A2SLC6A3SLC6A4KCNH2 | |
| SCHEMBL10920070 | 0.80 | ACP3 (0.45) | SMN1; SMN2PARP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117693344-A | Method for preparing CDK inhibitors | 奥瑞珍肿瘤有限公司 | 2024-03-12 | — | — | CN | disclosed |
| WO-2023107861-A1 | AMINOPYRAZOLE DERIVATIVES AS CDK7 INHIBITORS FOR USE IN TREATING IN CANCER | EXELIXIS, INC. (US) | 2023-06-15 | — | — | WO | disclosed |