Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | SIRT2 | Q8IXJ6 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.52 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | CDC25B | P30305 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9409034 | 0.97 | ALDH1A1 (0.56) | ALDH1A1SIRT2RAB9APOLBROCK1 | |
| SCHEMBL9409168 | 0.89 | AKR1C3 (0.56) | ALDH1A1SIRT2AKR1C3AKR1C2AKR1C4 | |
| SCHEMBL9409193 | 0.87 | CDC25B (0.60) | ALDH1A1RAB9APOLBLMNANPC1 | |
| SCHEMBL9409032 | 0.83 | SIRT2 (0.59) | SIRT2AKR1C3AKR1C2AKR1C4AKR1C1 | |
| SCHEMBL9409084 | 0.83 | SIRT2 (0.73) | ALDH1A1SIRT2ROCK1AKR1C3AKR1C2 | |
| SCHEMBL9409062 | 0.83 | SIRT2 (0.47) | ALDH1A1SIRT2MAPK1MAPT | |
| SCHEMBL9409200 | 0.83 | AKR1C3 (0.52) | SIRT2POLBAKR1C3AKR1C2MAPK1 | |
| SCHEMBL9409202 | 0.82 | MAPT (0.64) | ALDH1A1SIRT2AKR1C3AKR1C2MAPT | |
| SCHEMBL9409093 | 0.82 | LMNA (0.52) | SIRT2RAB9ALMNANPC1MAPT | |
| SCHEMBL9409049 | 0.82 | AKR1C3 (0.58) | SIRT2RAB9APOLBAKR1C3AKR1C2 |
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-0600832-A1 | Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors | CIBA-GEIGY AG (CH) | 1994-06-08 | — | — | EP | disclosed |