Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA3 | P42263 | 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 | |
|---|---|---|---|---|
| SCHEMBL15223124 | 0.90 | PTGS1 (0.41) | CYP2A6ALDH1A1PANK3KDM4ELMNA | |
| SCHEMBL87339 | 0.87 | CYP2A6 (0.52) | CYP2A6ALDH1A1PANK3CYP19A1ERBB2 | |
| SCHEMBL20800817 | 0.86 | CYP2A6 (0.40) | CYP2A6ALDH1A1PANK3CYP19A1ERBB2 | |
| SCHEMBL15235254 | 0.83 | ALDH1A1 (0.39) | ALDH1A1PANK3KDM4ELMNAGAA | |
| SCHEMBL995812 | 0.82 | CA2 (0.50) | CYP2A6ALDH1A1ENPP2CA12CA2 | |
| SCHEMBL12922764 | 0.82 | TYR (0.44) | ALDH1A1KDM4ELMNACYP3A4CYP2C19 | |
| SCHEMBL18805967 | 0.82 | TYR (0.44) | ALDH1A1KDM4ELMNACYP3A4CYP2C19 | |
| SCHEMBL12263202 | 0.81 | MMP3 (0.52) | CYP2A6ALDH1A1PANK3CYP19A1ERBB2 | |
| SCHEMBL10068521 | 0.80 | RORC (0.37) | ALDH1A1PANK3S1PR1CA2KDM4E | |
| SCHEMBL179245 | 0.80 | PANK3 (0.32) | CYP2A6ALDH1A1PANK3S1PR1 |
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-3024039-B1 | ORGANIC SEMICONDUCTOR COMPOSITIONS | SMARTKEM LTD (GB) | 2020-05-20 | — | — | EP | disclosed |