Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.50 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19407338 | 0.84 | NPSR1 (0.64) | CYP1A2HDAC1HDAC2CYSLTR1GPBAR1 | |
| SCHEMBL29858336 | 0.84 | NPSR1 (0.64) | CYP1A2HDAC1HDAC2CYSLTR1GPBAR1 | |
| SCHEMBL4811807 | 0.80 | MEN1 (0.50) | CYP1A2HDAC1HDAC2CYSLTR1GPBAR1 | |
| SCHEMBL8843269 | 0.77 | CYP1A2 (0.50) | CYP1A2HDAC1HDAC2CYSLTR1GPBAR1 | |
| SCHEMBL19385987 | 0.76 | HTT (0.55) | CYP1A2HDAC1HDAC2ALDH1A1 | |
| SCHEMBL29858122 | 0.76 | HTT (0.55) | CYP1A2HDAC1HDAC2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8843526 | 0.76 | CYP1A2 (0.49) | CYP1A2HDAC1HDAC2CYSLTR1GPBAR1 | |
| SCHEMBL15578063 | 0.76 | HDAC1 (0.61) | CYP1A2HDAC1HDAC2CYSLTR1GPBAR1 | |
| SCHEMBL28169944 | 0.75 | CYSLTR1 (0.55) | CYP1A2CYSLTR1GPBAR1CYSLTR2ALOX5 | |
| SCHEMBL933223 | 0.75 | HDAC1 (0.64) | CYP1A2HDAC1HDAC2HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5672615-A | MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS | NOVARTIS CORPORATION (US) | 1997-09-30 | — | — | US | disclosed |