Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | UBE2N | P61088 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.44 |
| ▸ | TUBB | P07437 | 2/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12288734 | 0.90 | ALDH1A1 (0.55) | ALDH1A1TP53KDM4EKCNQ2MEN1 | |
| SCHEMBL15712182 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AMAPK1TSHR | |
| SCHEMBL25567784 | 0.82 | TP53 (0.51) | ALDH1A1TP53KDM4ESRD5A1TUBB4A | |
| SCHEMBL16522079 | 0.81 | TP53 (0.42) | ALDH1A1TP53KDM4EKCNQ2MEN1 | |
| SCHEMBL10673852 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TP53KDM4EMEN1KMT2A | |
| SCHEMBL17602223 | 0.81 | DRD1 (0.48) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL2201933 | 0.80 | SMN1; SMN2 (0.53) | ALDH1A1TP53MEN1KMT2AL3MBTL1 | |
| SCHEMBL21391490 | 0.80 | SRD5A1 (0.54) | ALDH1A1TP53KDM4EKCNQ2MEN1 | |
| SCHEMBL24286724 | 0.79 | ALDH1A1 (0.58) | ALDH1A1KDM4EMEN1KMT2AL3MBTL1 | |
| SCHEMBL29478502 | 0.79 | ROCK1 (0.51) | ALDH1A1TP53MEN1KMT2AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2915804-A1 | NOVEL AMINE DERIVATIVE OR SALT THEREOF | Toyama Chemical Co., Ltd. (JP) | 2015-09-09 | — | — | EP | disclosed |