Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14231750 | 0.77 | CHRM2 (0.54) | CA12CA1CA2CA9CHRM2 | |
| SCHEMBL10602125 | 0.76 | MAOB (0.68) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL18003606 | 0.74 | CA12 (0.46) | CA12CA1CA2CA9CHRM2 | |
| SCHEMBL18233454 | 0.74 | CA12 (0.46) | CA12CA1CA2CA9CHRM2 | |
| SCHEMBL29875984 | 0.74 | DYRK1A (0.50) | DYRK1ACA12CA1CA2CA9 | |
| SCHEMBL20210894 | 0.74 | CA12 (0.46) | CA12CA1CA2CA9CHRM2 | |
| SCHEMBL13824711 | 0.74 | ALDH1A1 (0.52) | CDK9DYRK1ACA12CA1CA2 | |
| SCHEMBL12267 | 0.74 | DYRK1A (0.50) | DYRK1ACA12CA1CA2CA9 | |
| SCHEMBL19794945 | 0.74 | CA2 (0.50) | DYRK1ACA12CA1CA2CA9 | |
| SCHEMBL27890315 | 0.74 | FLT3 (0.55) | CDK9DYRK1ACA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022213932-A1 | PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF | 广州必贝特医药股份有限公司 | 2022-10-13 | — | — | WO | disclosed |
| US-6166011-A | FKBP inhibitors | PFIZER INC (US) | 2000-12-26 | — | — | US | disclosed |