Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2362608 | 0.88 | CA12 (0.38) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL29148604 | 0.85 | KDM4E (0.45) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL2512844 | 0.79 | ALDH1A1 (0.47) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL21597813 | 0.76 | PKM (0.41) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL19556332 | 0.75 | CA12 (0.40) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL25348892 | 0.75 | PKM (0.40) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL2516485 | 0.74 | CA12 (0.44) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL17473324 | 0.74 | CA12 (0.41) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL21597836 | 0.73 | CA12 (0.39) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL20319776 | 0.73 | CA12 (0.39) | CA12CA1CA2CA9SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117136052-A | CDK inhibitors and methods of use thereof | 传达治疗有限公司 | 2023-11-28 | — | — | CN | disclosed |