Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.41 |
| ▸ | F11 | P03951 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL28447307 | 0.80 | CA12 (0.41) | MAPK1CA12CA9PDE3BPDE3A | |
| SCHEMBL28069957 | 0.80 | GABRA1 (0.53) | LCKMAPK1CA12CA9CYP3A4 | |
| SCHEMBL29721819 | 0.77 | LCK (0.44) | LCKNR3C1PGRCYP3A4SIRT6 | |
| SCHEMBL1207795 | 0.77 | HDAC6 (0.48) | LCKSYK | |
| Hydrochloric Acid SCHEMBL3831639 | 0.75 | HDAC6 (0.47) | LCKSYK | |
| SCHEMBL23621219 | 0.73 | MAPK1 (0.49) | MAPK1CA12CA9PDE3BPDE3A | |
| SCHEMBL29703091 | 0.73 | SIRT6 (0.40) | LCKPDE3BPDE3ASYKSIRT6 | |
| SCHEMBL29783036 | 0.73 | F11 (0.55) | MAPK1CA12CA9PDE3BPDE3A | |
| SCHEMBL707460 | 0.73 | F11 (0.55) | MAPK1CA12CA9PDE3BPDE3A | |
| SCHEMBL14494403 | 0.73 | CA12 (0.55) | MAPK1CA12CA9PDE3BPDE3A |
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-109575016-A | PDE9 inhibitors and uses thereof | 南京药捷安康生物科技有限公司 | 2019-04-05 | — | — | CN | disclosed |