Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLA1 | P09884 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 4/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 3/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CCNH | P51946 | 1/20 | 0.33 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.33 |
| ▸ | QPCT | Q16769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7592034 | 0.98 | ALDH1A1 (0.49) | ALDH1A1KDM4EPOLA1CDK2RXFP1 | |
| SCHEMBL27535767 | 0.83 | XDH (0.47) | ALDH1A1KDM4EPOLA1CDK2RXFP1 | |
| SCHEMBL10923939 | 0.80 | XDH (0.49) | ALDH1A1KDM4EPOLA1PAK1CYP1A2 | |
| SCHEMBL1371022 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4EPOLA1CDK2RXFP1 | |
| SCHEMBL11802315 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KDM4EPOLA1CDK2RXFP1 | |
| SCHEMBL2563787 | 0.78 | ALDH1A1 (0.45) | ALDH1A1KDM4EPOLA1CDK2RXFP1 | |
| SCHEMBL6833311 | 0.76 | F7 (0.43) | ALDH1A1F7F3CYP1A2HASPIN | |
| SCHEMBL11500976 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KDM4EPOLA1CDK2RXFP1 | |
| SCHEMBL29120496 | 0.75 | KDM4E (0.58) | ALDH1A1KDM4EPOLA1CDK2RXFP1 | |
| SCHEMBL28715732 | 0.75 | ALDH1A1 (0.58) | ALDH1A1KDM4EPOLA1CDK2RXFP1 |
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-117769554-A | Small molecule inhibitors of KRAS muteins | 大鹏药品工业株式会社 | 2024-03-26 | — | — | CN | disclosed |
| CN-117396472-A | SOS1 inhibitors and uses thereof | 上海齐鲁锐格医药研发有限公司 | 2024-01-12 | — | — | CN | disclosed |