Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.50 |
| ▸ | CA2 | P00918 | 8/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 6/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 3/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.41 |
| ▸ | FCER2 | P06734 | 1/20 | 0.41 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.41 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17185517 | 1.00 | CA1 (0.50) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL15453585 | 0.91 | CA1 (0.53) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL15453587 | 0.91 | CA1 (0.53) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL26327735 | 0.80 | PTGS2 (0.41) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL24556302 | 0.72 | PDK2 (0.40) | NTRK1PTGS2 | |
| SCHEMBL14410532 | 0.69 | PDK2 (0.55) | ALDH1A1MAPTPOLB | |
| SCHEMBL2260735 | 0.68 | CA1 (1.00) | CA1CA2CA9CA12PDPK1 | |
| SCHEMBL31120210 | 0.68 | LMNA (0.44) | CA1CA2CA9CA12ALDH1A1 | |
| Isoindigo SCHEMBL9899736 | 0.66 | LRRK2 (0.67) | ALDH1A1MAPTSYKNTRK1POLB | |
| Isoindigo SCHEMBL12386233 | 0.66 | LRRK2 (0.67) | ALDH1A1MAPTSYKNTRK1POLB |
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-2015160986-A2 | COMBINATION THERAPIES | INFINITY PHARMACEUTICALS, INC. (US) | 2015-10-22 | — | — | WO | disclosed |