Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MERTK | Q12866 | 3/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4064578 | 1.00 | MERTK (0.39) | MERTKAXLHDAC6CDK9KDM4E | |
| SCHEMBL4961034 | 0.83 | HDAC6 (0.45) | HDAC6KDM4EALDH1A1HPGDADRA1A | |
| Hydrochloric Acid SCHEMBL31637334 | 0.72 | CDK9 (0.38) | MERTKAXLCDK9HRH3HRH4 | |
| SCHEMBL2544813 | 0.72 | LMNA (0.57) | CDK9KDM4EALDH1A1HSD17B10 | |
| SCHEMBL7750975 | 0.70 | KDM4E (0.42) | HDAC6KDM4EALDH1A1HPGDADRA1A | |
| SCHEMBL15219372 | 0.69 | HTR2C (0.38) | MERTKAXLHRH3HRH4PIK3CD | |
| SCHEMBL6791016 | 0.69 | YTHDC1 (0.44) | KDM4EALDH1A1HSD17B10GABRG2GABRB3 | |
| SCHEMBL1840788 | 0.69 | TLR7 (0.55) | — | |
| SCHEMBL1842615 | 0.69 | TLR7 (0.55) | — | |
| SCHEMBL14642669 | 0.68 | CDK1 (0.56) | HDAC6KDM4EALDH1A1HPGDADRA1A |
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-2078019-A2 | PURINES AS PKC-THETA INHIBITORS | N.V. Organon (NL) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008051826-A2 | PURINES AS PKC-THETA INHIBITORS | N.V. ORGANON (NL) | 2008-05-02 | — | — | WO | disclosed |