Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | BPTF | Q12830 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5497757 | 0.80 | BRD9 (0.36) | CNR2CYP1A2CYP2C19BPTFKAT2B | |
| SCHEMBL3114686 | 0.78 | ALDH1A1 (0.46) | CYP1A2ALDH1A1HTTKDM4EMEN1 | |
| SCHEMBL16592882 | 0.73 | KAT2B (0.33) | CNR2CYP1A2CYP2C19BPTFKAT2B | |
| SCHEMBL3120670 | 0.72 | PKM (0.47) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL5500017 | 0.71 | TLR7 (0.36) | ALDH1A1KDM4EHDAC1 | |
| SCHEMBL16592911 | 0.71 | GLA (0.34) | CNR2CYP1A2CYP2C19ALDH1A1HTT | |
| SCHEMBL15856849 | 0.71 | NTRK1 (0.37) | BPTFKAT2BBRD9MEN1KMT2A | |
| SCHEMBL6065170 | 0.71 | HTT (0.47) | ALDH1A1HTTKDM4EMEN1KMT2A | |
| SCHEMBL16078095 | 0.71 | L3MBTL1 (0.44) | CYP1A2CYP2C19KDM4EHDAC1HDAC2 | |
| SCHEMBL5493771 | 0.70 | CCNC (0.41) | ALDH1A1 |
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-2016095860-A1 | PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |