Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19416936 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MAPK1TDP1L3MBTL1USP2 | |
| SCHEMBL3629418 | 0.80 | ALDH1A1 (0.49) | ALDH1A1MAPK1TDP1L3MBTL1USP2 | |
| SCHEMBL15993286 | 0.77 | ALDH1A1 (0.36) | ALDH1A1MAPK1TDP1L3MBTL1USP2 | |
| SCHEMBL15993287 | 0.77 | ALDH1A1 (0.36) | ALDH1A1MAPK1TDP1L3MBTL1USP2 | |
| SCHEMBL13977857 | 0.77 | ALDH1A1 (0.36) | ALDH1A1MAPK1TDP1L3MBTL1USP2 | |
| SCHEMBL19416982 | 0.73 | ALDH1A1 (0.36) | ALDH1A1MAPK1TDP1L3MBTL1USP2 | |
| SCHEMBL14302924 | 0.72 | KMT2A (0.42) | ALDH1A1MAPK1TDP1L3MBTL1KMT2A | |
| SCHEMBL13858642 | 0.71 | USP2 (0.39) | ALDH1A1MAPK1TDP1L3MBTL1USP2 | |
| SCHEMBL2421365 | 0.69 | KMT2A (0.51) | ALDH1A1MAPK1TDP1L3MBTL1KMT2A | |
| SCHEMBL9192054 | 0.69 | KMT2A (0.46) | ALDH1A1MAPK1TDP1L3MBTL1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2709609-A1 | HETEROCYCLIC COMPOUNDS | Shionogi & Co., Ltd. (JP) | 2014-03-26 | — | — | EP | disclosed |
| WO-2012158844-A1 | HETEROCYCLIC COMPOUNDS | SHIONOGI & CO., LTD. (JP) | 2012-11-22 | — | — | WO | disclosed |