Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2223282 | 0.93 | CYP2C9 (0.43) | PARP1MEN1KMT2APOLBCYP11B1 | |
| SCHEMBL13274755 | 0.88 | GRM5 (0.44) | PARP1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL13275009 | 0.88 | PARP1 (0.37) | PARP1MAPTPOLBCYP11B1CYP11B2 | |
| SCHEMBL13275315 | 0.87 | PARP1 (0.39) | PARP1MEN1KMT2ACYP11B1CYP11B2 | |
| SCHEMBL13275429 | 0.86 | PARP1 (0.38) | PARP1MEN1KMT2ACYP11B1CYP11B2 | |
| SCHEMBL13274914 | 0.84 | PARP1 (0.37) | PARP1MAPTCYP11B1CYP11B2ABHD6 | |
| SCHEMBL173258 | 0.83 | PARP1 (0.38) | PARP1MEN1KMT2AABHD6ALDH1A1 | |
| SCHEMBL13275207 | 0.83 | CCNB2 (0.38) | PARP1MAPTPOLBCYP11B1CYP11B2 | |
| SCHEMBL255607 | 0.81 | TP53 (0.35) | — | |
| SCHEMBL12518001 | 0.78 | MET (0.45) | — |
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-2012030633-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-03-08 | — | — | WO | disclosed |