Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23319181 | 0.81 | NCEH1 (0.35) | PIN1POLBPIK3CAPIK3CBMTOR | |
| SCHEMBL15131951 | 0.75 | NCEH1 (0.42) | PIN1ALDH1A1DYRK1AKMT2A | |
| SCHEMBL5565734 | 0.72 | PIN1 (0.48) | PIN1SLC22A12DYRK1AKMT2AAPP | |
| SCHEMBL9330478 | 0.72 | PIN1 (0.48) | PIN1ATMALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL19876633 | 0.70 | HTT (0.58) | PIN1CA1CA2APPMAP4K4 | |
| SCHEMBL7505331 | 0.69 | PIN1 (0.40) | PIN1ALDH1A1CA1CA2APP | |
| SCHEMBL31401848 | 0.69 | PIN1 (0.41) | PIN1L3MBTL1ALDH1A1SLC22A12KMT2A | |
| SCHEMBL11458292 | 0.69 | CA1 (0.50) | PIN1ATMALDH1A1KMT2ACA1 | |
| SCHEMBL22833509 | 0.69 | ADORA2A (0.50) | PIN1PRKDCATRALDH1A1MAPK1 | |
| SCHEMBL121243 | 0.68 | APP (0.40) | PIN1ALDH1A1PKMYT1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3022205-B1 | NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | UNIV COLUMBIA (US) | 2020-02-05 | — | — | EP | disclosed |