Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | CA4 | P22748 | 2/20 | 0.62 |
| ▸ | CA6 | P23280 | 2/20 | 0.62 |
| ▸ | CA7 | P43166 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.62 |
| ▸ | TPMT | P51580 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 2/20 | 0.51 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3714733 | 1.00 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL6559195 | 0.86 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL2565798 | 0.86 | PKM (0.73) | CA12CA1CA2CA4CA6 | |
| SCHEMBL29787233 | 0.85 | PKM (0.77) | CA12CA1CA2CA4CA6 | |
| SCHEMBL1047475 | 0.85 | PKM (0.77) | CA12CA1CA2CA4CA6 | |
| SCHEMBL7356053 | 0.85 | CA12 (0.61) | CA12CA1CA2CA4CA6 | |
| SCHEMBL3720799 | 0.85 | VCAM1 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6559478 | 0.85 | CA12 (0.61) | CA12CA1CA2CA4CA6 | |
| SCHEMBL997667 | 0.81 | MAPT (0.50) | CA12CA1CA2CA4CA6 | |
| SCHEMBL10143520 | 0.80 | PRSS1 (0.53) | CA12CA1CA2CA4CA6 |
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-117561058-A | CDK2 inhibitors and methods of use thereof | 塞迪拉治疗股份有限公司 | 2024-02-13 | — | — | CN | disclosed |