Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.63 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.63 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.62 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.58 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | GFER | P55789 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.55 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9409049 | 0.94 | AKR1C3 (0.58) | AKR1C3AKR1C2PDE4BSIRT2SIRT1 | |
| SCHEMBL28357281 | 0.88 | SIRT2 (0.75) | AKR1C3AKR1C2PDE4BSIRT2SIRT1 | |
| SCHEMBL9409067 | 0.83 | AKR1C3 (0.60) | AKR1C3AKR1C2SIRT2NPC1GFER | |
| SCHEMBL5078980 | 0.83 | PDE4B (0.64) | AKR1C3AKR1C2PDE4BSIRT2SIRT1 | |
| SCHEMBL9409059 | 0.81 | ALDH1A1 (0.58) | AKR1C3AKR1C2SIRT2NPC1SMN1; SMN2 | |
| SCHEMBL29127204 | 0.81 | PDE4B (0.71) | AKR1C3AKR1C2PDE4BSYK | |
| SCHEMBL30664053 | 0.81 | PDE4B (0.71) | AKR1C3AKR1C2PDE4BSYK | |
| SCHEMBL9409184 | 0.80 | SYK (0.57) | AKR1C3AKR1C2SIRT2SIRT1GAA | |
| SCHEMBL9594696 | 0.79 | AKR1C3 (0.81) | AKR1C3AKR1C2NPC1GFERGAA | |
| SCHEMBL9409062 | 0.78 | SIRT2 (0.47) | PDE4BSIRT2SIRT1MAPT |
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-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 | claimed |
| 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 |