Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 4/20 | 0.44 |
| ▸ | GSK3A | P49840 | 3/20 | 0.44 |
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16012720 | 0.84 | PIN1 (0.58) | PIN1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL16264934 | 0.83 | RPS6KA3 (0.41) | MEN1KMT2APOLBEPHX2RPS6KA3 | |
| SCHEMBL16245594 | 0.82 | PIN1 (0.60) | PIN1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL16245543 | 0.79 | PIN1 (0.54) | PIN1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL16245532 | 0.79 | PIN1 (0.53) | PIN1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL19666538 | 0.78 | PIN1 (0.67) | PIN1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL15145623 | 0.78 | PIN1 (0.70) | PIN1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL16245575 | 0.77 | PIN1 (0.50) | PIN1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL19666472 | 0.76 | PIN1 (0.61) | PIN1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL5413809 | 0.76 | GSK3B (0.56) | MAPTMEN1CYP1A2CYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014180524-A1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2014-11-13 | — | — | WO | disclosed |