Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MLYCD | O95822 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12801669 | 0.73 | MASP2 (0.35) | MAPTL3MBTL1KDM4EGAAPOLB | |
| SCHEMBL12177014 | 0.72 | ESR1 (0.35) | ALDH1A1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL3093916 | 0.71 | HSD17B10 (0.66) | ALDH1A1RAB9ANPSR1HPGDHTT | |
| SCHEMBL5201567 | 0.71 | ALDH1A1 (0.64) | ALDH1A1RAB9ANPSR1HPGDHTT | |
| SCHEMBL18880072 | 0.69 | ALDH1A1 (0.73) | ALDH1A1RAB9ANPSR1HPGDHTT | |
| SCHEMBL12545751 | 0.69 | F2 (0.65) | ALDH1A1RAB9ANPSR1HPGDHTT | |
| SCHEMBL25543872 | 0.67 | ALDH1A1 (0.67) | ALDH1A1RAB9ANPSR1HPGDHTT | |
| SCHEMBL18896262 | 0.66 | ALDH1A1 (0.66) | ALDH1A1RAB9ANPSR1HPGDHTT | |
| SCHEMBL7278525 | 0.66 | ALDH1A1 (0.71) | ALDH1A1RAB9ANPSR1HPGDHTT | |
| SCHEMBL22199591 | 0.66 | ALDH1A1 (0.66) | ALDH1A1RAB9ANPSR1HPGDHTT |
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-2011046970-A1 | AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON | MYREXIS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |