Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | MMP12 | P39900 | 2/20 | 0.53 |
| ▸ | MMP13 | P45452 | 2/20 | 0.53 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9813753 | 0.92 | HDAC1 (0.64) | HDAC1HDAC8AKR1B1MMP12MMP13 | |
| SCHEMBL10581074 | 0.90 | HDAC1 (0.58) | HDAC1HDAC8AKR1B1MMP12MMP13 | |
| SCHEMBL19248976 | 0.85 | HDAC1 (0.65) | HDAC1HDAC8MMP12MMP13HSD17B10 | |
| SCHEMBL3241520 | 0.83 | LOX (0.54) | HDAC1HDAC8MMP12MMP13ALDH1A1 | |
| SCHEMBL1982525 | 0.83 | HDAC1 (0.61) | HDAC1HDAC8MMP12MMP13TSHR | |
| SCHEMBL9815794 | 0.82 | TDP1 (0.54) | HDAC1HDAC8MMP12MMP13ALDH1A1 | |
| SCHEMBL9813806 | 0.80 | HDAC1 (0.58) | HDAC1HDAC8MMP12MMP13LMNA | |
| SCHEMBL9813773 | 0.80 | TBXA2R (0.65) | HDAC1HDAC8MMP12MMP13ALDH1A1 | |
| SCHEMBL5020741 | 0.79 | HDAC1 (0.61) | HDAC1HDAC8MMP12MMP13ALDH1A1 | |
| SCHEMBL6509990 | 0.79 | MAOB (0.57) | HDAC1HDAC8MMP12MMP13GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0301421-A2 | Sulfur compounds, process for their preparation and medicines | Roche Diagnostics GmbH (DE) | 1989-02-01 | — | — | EP | disclosed |