Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL28664537 | 0.94 | MKNK1 (0.40) | HCAR2HCAR3MKNK1MKNK2KMT2A | |
| SCHEMBL27964125 | 0.87 | HCAR2 (0.49) | HCAR2HCAR3MKNK1MKNK2KMT2A | |
| SCHEMBL28649163 | 0.86 | PIK3CA (0.40) | HCAR2HCAR3MKNK1MKNK2KMT2A | |
| SCHEMBL27976878 | 0.85 | MKNK1 (0.35) | HCAR2HCAR3MKNK1MKNK2KMT2A | |
| SCHEMBL14722563 | 0.82 | IGF1R (0.40) | HCAR2HCAR3MKNK1MKNK2KMT2A | |
| SCHEMBL28814284 | 0.81 | PIK3CA (0.35) | MKNK1MKNK2ADORA2AADORA1PIK3CA | |
| SCHEMBL27983380 | 0.81 | PIK3CA (0.35) | MKNK1MKNK2ADORA2AADORA1PIK3CA | |
| SCHEMBL27983385 | 0.81 | PIK3CA (0.35) | MKNK1MKNK2ADORA2AADORA1PIK3CA | |
| SCHEMBL15058709 | 0.79 | IGF1R (0.54) | — | |
| SCHEMBL27983094 | 0.77 | DHFR (0.40) | SMN1; SMN2ADORA2AADORA1NPSR1PIK3CA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | claimed |
| EP-2794605-A1 | 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-10-29 | — | — | EP | disclosed |
| CN-104011050-A | 2, 4-diamino-pyrimidine derivatives as serine/threonine kinase inhibitors | HOFFMANN LA ROCHE | 2014-08-27 | — | — | CN | disclosed |
| EP-2748159-A1 | SERINE/THREONINE PAK1 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013092940-A1 | 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-06-27 | — | — | WO | disclosed |
| WO-2013026914-A1 | SERINE/THREONINE PAK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-02-28 | — | — | WO | disclosed |