Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 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 | |
|---|---|---|---|---|
| SCHEMBL20343759 | 0.91 | CA12 (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8944063 | 0.87 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14126440 | 0.84 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8943675 | 0.83 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19958555 | 0.82 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16421022 | 0.82 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15220401 | 0.81 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8944319 | 0.81 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15212624 | 0.80 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22014949 | 0.79 | SLC2A1 (0.55) | CA12CA1CA2CA7CA9 |
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 |