Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10950583 | 0.76 | CYP2A6 (0.54) | CYP2A6SMN1; SMN2TP53RXFP1TAAR1 | |
| SCHEMBL4073210 | 0.75 | CYP3A4 (0.46) | SMN1; SMN2TAAR1CYP2D6ALDH1A1 | |
| SCHEMBL1273081 | 0.75 | CYP3A4 (0.46) | SMN1; SMN2TAAR1CYP2D6ALDH1A1 | |
| SCHEMBL3958818 | 0.75 | KDM4E (0.47) | SMN1; SMN2POLBCYP2D6ALDH1A1PKM | |
| SCHEMBL4659497 | 0.75 | MAPT (0.34) | SMN1; SMN2TP53RXFP1POLBCTSL | |
| SCHEMBL2534944 | 0.74 | CYP2A6 (0.53) | CYP2A6SMN1; SMN2TP53RXFP1TAAR1 | |
| SCHEMBL8486768 | 0.73 | CYP2A6 (0.59) | CYP2A6SMN1; SMN2TP53RXFP1TAAR1 | |
| SCHEMBL4436295 | 0.73 | POLQ (0.43) | POLBALDH1A1 | |
| SCHEMBL21274459 | 0.73 | SMN1; SMN2 (0.61) | CYP2A6SMN1; SMN2TP53RXFP1TAAR1 | |
| SCHEMBL8315892 | 0.73 | PKM (0.48) | CYP2A6SMN1; SMN2TP53RXFP1TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720855-A4 | INHIBITORS OF AKT ACTIVITY | SMITHKLINE BEECHAM CORP (US) | 2008-12-17 | — | — | EP | disclosed |
| EP-1720855-A1 | INHIBITORS OF AKT ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005085227-A1 | INHIBITORS OF AKT ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-15 | — | — | WO | disclosed |