Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | LSS | P48449 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3426126 | 0.92 | HRH3 (0.40) | XDHPIM1ATP4AATP4BACHE | |
| SCHEMBL674938 | 0.86 | ALK (0.38) | KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL3730836 | 0.84 | DRD3 (0.43) | TLR8TLR7 | |
| SCHEMBL3722843 | 0.83 | ATM (0.40) | ATMCHEK2MAOALSSPIM1 | |
| SCHEMBL676200 | 0.82 | GSK3B (0.37) | KDM4ECYP1A2CYP3A4 | |
| SCHEMBL3432969 | 0.81 | LSS (0.42) | ATMCHEK2MAOALSSKDM4E | |
| SCHEMBL675184 | 0.80 | LSS (0.46) | ATMCHEK2MAOALSSKDM4E | |
| SCHEMBL676333 | 0.78 | ATM (0.40) | ATMCHEK2MAOALSSKDM4E | |
| SCHEMBL676334 | 0.78 | ATM (0.40) | ATMCHEK2MAOALSSKDM4E | |
| SCHEMBL3722839 | 0.77 | HTR1A (0.42) | ATMCHEK2MAOALSSXDH |
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 |
|---|---|---|---|---|---|---|---|
| US-8895744-B2 | Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2014-11-25 | — | — | US | disclosed |
| EP-2161271-A1 | Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl | Università Degli Studi Di Milano - Bicocca (IT) | 2010-03-10 | — | — | EP | disclosed |