Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18209708 | 0.75 | MAPK8 (0.47) | CYP17A1IDO1NAMPTRXFP1METAP1 | |
| SCHEMBL24408329 | 0.74 | CYP17A1 (0.37) | CYP17A1NAMPTRXFP1METAP1LMNA | |
| SCHEMBL20268056 | 0.74 | CYP17A1 (0.37) | CYP17A1RXFP1METAP1AKT1KDM4E | |
| SCHEMBL28255203 | 0.70 | CTSK (0.40) | CYP17A1NAMPTATRPTGDR2 | |
| SCHEMBL21754350 | 0.70 | MIF (0.38) | CYP17A1NAMPTKDM4ELMNAATR | |
| SCHEMBL21552096 | 0.69 | DHPS (0.62) | RXFP1LMNANPSR1 | |
| SCHEMBL16845708 | 0.69 | L3MBTL1 (0.57) | KDM4E | |
| SCHEMBL20542063 | 0.69 | CA1 (0.40) | CYP17A1NAMPTATRMAPKAPK2 | |
| SCHEMBL646786 | 0.69 | LMNA (0.48) | IDO1RXFP1METAP1AKT1LMNA | |
| SCHEMBL16845739 | 0.69 | L3MBTL1 (0.43) | — |
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-3555093-A1 | INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF | H. Hoffnabb-La Roche Ag (CH) | 2019-10-23 | — | — | EP | disclosed |
| WO-2018109097-A1 | INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2018-06-21 | — | — | WO | disclosed |