Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29933889 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL31359375 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL2773239 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10309779 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL12788053 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL23501657 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL7718912 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL14622438 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL17083281 | 0.78 | LOXL2 (0.56) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL29934082 | 0.78 | LOXL2 (0.56) | ALDH1A1CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017214359-A1 | NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS | VENENUM BIODESIGN LLC (US) | 2017-12-14 | — | — | WO | disclosed |