Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL24866255 | 0.78 | PDE10A (0.48) | CYP11B1CYP11B2PDE10AALDH1A1HTT | |
| SCHEMBL31061893 | 0.77 | TAAR1 (0.49) | CYP11B1CYP11B2PDE10AALDH1A1HTT | |
| SCHEMBL2633106 | 0.75 | PDE10A (0.50) | CYP11B1CYP11B2PDE10AALDH1A1HTT | |
| SCHEMBL12265339 | 0.74 | PDE10A (0.50) | CYP11B1CYP11B2PDE10AALDH1A1HTT | |
| SCHEMBL18656448 | 0.74 | PDE10A (0.49) | CYP11B1CYP11B2PDE10AALDH1A1HTT | |
| SCHEMBL54818 | 0.72 | CYP11B1 (0.41) | CYP11B1CYP11B2PDE10AALDH1A1HTT | |
| SCHEMBL19225688 | 0.72 | PDE10A (0.47) | CYP11B1CYP11B2PDE10AALDH1A1HTT | |
| SCHEMBL10176850 | 0.72 | PDE10A (0.47) | CYP11B1CYP11B2PDE10AALDH1A1HTT | |
| SCHEMBL1433367 | 0.70 | AOC3 (0.52) | HDAC4HDAC3HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL2068486 | 0.69 | AOC3 (0.51) | HDAC4HDAC3HDAC1HDAC7HDAC2 |
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-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |