Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKLR | P30613 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16051041 | 0.86 | PKLR (0.58) | PKLRCA12CA1CA2CA7 | |
| SCHEMBL21976680 | 0.83 | CYP2D6 (0.46) | PKLRCYP2D6MAPK1CYP3A4USP2 | |
| SCHEMBL16084362 | 0.79 | PKLR (0.50) | PKLRCA12CA1CA2CA7 | |
| SCHEMBL16083984 | 0.79 | PKLR (0.53) | PKLRCA12CA1CA2CA7 | |
| SCHEMBL14320380 | 0.77 | GRM3 (0.58) | PKLRCA12CA1CA2CA7 | |
| SCHEMBL16084138 | 0.76 | PKLR (0.52) | PKLRCA12CA1CA2CA7 | |
| SCHEMBL17054868 | 0.75 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16049701 | 0.75 | AVPR1A (0.58) | PKLRALDH1A1CYP3A4LMNA | |
| SCHEMBL16084000 | 0.74 | ALDH1A1 (0.57) | PKLRALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL18053843 | 0.74 | CA12 (0.57) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2014139325-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2014-09-18 | — | — | WO | disclosed |