Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4073213 | 1.00 | CYP3A4 (0.61) | CYP3A4MAPK1CTRB1CYP2C9CYP2C19 | |
| SCHEMBL7417831 | 0.87 | CTRB1 (0.53) | CYP3A4MAPK1CTRB1CTSLCTSK | |
| SCHEMBL7417837 | 0.87 | CTRB1 (0.53) | CYP3A4MAPK1CTRB1CTSLCTSK | |
| SCHEMBL4583744 | 0.85 | CACNA1B (0.47) | CYP3A4MAPK1ALDH1A1CTSLCTSK | |
| SCHEMBL4322435 | 0.84 | PIN1 (0.51) | CYP3A4MAPK1CTRB1CYP2C9CYP2C19 | |
| SCHEMBL4384602 | 0.84 | CYP3A4 (0.53) | CYP3A4MAPK1ALDH1A1TSHRROCK2 | |
| SCHEMBL1051352 | 0.84 | CTRB1 (0.76) | CYP3A4MAPK1CTRB1CYP2C9CYP2C19 | |
| SCHEMBL2435512 | 0.84 | CTRB1 (0.76) | CYP3A4MAPK1CTRB1CYP2C9CYP2C19 | |
| SCHEMBL2482903 | 0.84 | CTRB1 (0.76) | CYP3A4MAPK1CTRB1CYP2C9CYP2C19 | |
| SCHEMBL14654947 | 0.84 | NPC1 (0.63) | CTRB1ALDH1A1TSHRNPC1RAB9A |
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 |