Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | OGG1 | O15527 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1807001 | 0.77 | CYP2A6 (0.46) | CYP2A6ALDH1A1ERN1TDP1 | |
| SCHEMBL7070033 | 0.76 | CES2 (0.46) | CES2CES1ALDH1A1CYP1A2 | |
| SCHEMBL3424511 | 0.76 | HSD17B10 (0.46) | CYP2A6CES2CES1ALDH1A1ALOX15 | |
| SCHEMBL3364629 | 0.76 | KCNN4 (0.43) | CA2CA1CA9CES2CES1 | |
| SCHEMBL3366400 | 0.76 | TSHR (0.48) | CA2CA1CA9ALDH1A1MAPK1 | |
| SCHEMBL3053977 | 0.74 | CYP2A6 (0.40) | CYP2A6CA2CA1CA5ACA9 | |
| SCHEMBL11431 | 0.74 | CA2 (0.48) | CYP2A6CA2CA1CA5ACA9 | |
| SCHEMBL3362423 | 0.72 | KIF11 (0.50) | CA2CA1CA9ALDH1A1MAPK1 | |
| SCHEMBL10538145 | 0.70 | ALDH1A1 (0.43) | CYP2A6CA2CA1CA5ACA9 | |
| SCHEMBL3362932 | 0.70 | PLK1 (0.41) | CYP2A6CA2ALDH1A1MAPK1TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3728425-A1 | POLYMERIC SUBSTRATES WITH ATTACHED POLYMERIC CHAINS | 3M Innovative Properties Company (US) | 2020-10-28 | — | — | EP | disclosed |
| EP-3728340-A1 | POLYMERIC MATERIALS FORMED USING INITIATORS WITH TWO THIOCARBONYLTHIO-CONTAINING GROUPS | 3M Innovative Properties Company (US) | 2020-10-28 | — | — | EP | disclosed |
| EP-3728424-A1 | POLYMERIC SUBSTRATES WITH ATTACHED THIOCARBONYLTHIO-CONTAINING GROUPS | 3M Innovative Properties Company (US) | 2020-10-28 | — | — | EP | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2003055479-A1 | COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2003-07-10 | — | — | WO | disclosed |