Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RPS6KA2 | Q15349 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4583697 | 0.90 | KMT2A (0.48) | ALDH1A1CASP3NPC1CYP3A4CYP2C9 | |
| SCHEMBL3724996 | 0.81 | SMN1; SMN2 (0.37) | NPC1HSD17B10KMT2AMEN1RAB9A | |
| SCHEMBL4374678 | 0.79 | KMT2A (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1539533 | 0.79 | KMT2A (0.39) | NPC1HSD17B10KMT2AMEN1RAB9A | |
| SCHEMBL4583741 | 0.78 | MMP1 (0.43) | NPC1KMT2AMEN1RAB9APOLB | |
| SCHEMBL4374146 | 0.77 | KMT2A (0.41) | ALDH1A1NPC1KMT2AMEN1RAB9A | |
| SCHEMBL4381679 | 0.76 | MEN1 (0.47) | ALDH1A1NPC1KMT2AGAAMEN1 | |
| SCHEMBL45154 | 0.69 | CASP3 (0.88) | CASP3KMT2AGAAMEN1 | |
| SCHEMBL30296449 | 0.69 | CASP3 (0.88) | CASP3KMT2AGAAMEN1 | |
| SCHEMBL3725498 | 0.68 | KDM4E (0.51) | ALDH1A1NPC1KMT2AMEN1RAB9A |
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-1968568-A2 | INHIBITORS OF Akt ACTIVITY | SmithKline Beecham Corporation (US) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007076423-A2 | INHIBITORS OF Akt ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |