Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19006008 | 0.89 | HDAC1 (0.36) | HDAC1HDAC2KMT2AMEN1TSHR | |
| SCHEMBL19005989 | 0.87 | HDAC1 (0.37) | HDAC1HDAC2KMT2AMEN1CYP1A2 | |
| SCHEMBL19005969 | 0.86 | CYP19A1 (0.45) | HDAC1HDAC2KMT2AMEN1TSHR | |
| SCHEMBL18987395 | 0.85 | CHRM4 (0.37) | HDAC1HDAC2KMT2AMEN1ALDH1A1 | |
| SCHEMBL18987410 | 0.83 | CYP3A4 (0.41) | HDAC1HDAC2KMT2AMEN1CYP3A4 | |
| SCHEMBL19005985 | 0.83 | HDAC1 (0.39) | HDAC1HDAC2KMT2AMEN1CYP3A4 | |
| SCHEMBL18987304 | 0.83 | HDAC1 (0.39) | HDAC1HDAC2KMT2AMEN1ALDH1A1 | |
| SCHEMBL19005984 | 0.82 | HDAC1 (0.39) | HDAC1HDAC2KMT2AMEN1ALDH1A1 | |
| SCHEMBL18987302 | 0.81 | HDAC1 (0.38) | HDAC1HDAC2KMT2AMEN1ALDH1A1 | |
| SCHEMBL19005959 | 0.81 | KMT2A (0.39) | HDAC1HDAC2KMT2AMEN1TSHR |
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-2017103637-A1 | DIPHENYLPROPANE COMPOUNDS AND THEIR CYTOTOXIC ACTIVITY | BLIRT S.A. (PL) | 2017-06-22 | — | — | WO | disclosed |