Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KIT | P10721 | 3/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 5/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP5 | P51878 | 2/20 | 0.35 |
| ▸ | CASP4 | P49662 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | AOC2 | O75106 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4328647 | 0.99 | TAAR1 (0.40) | TAAR1KDM4ENPC1RAB9AKIT | |
| SCHEMBL4328135 | 0.87 | AOC3 (0.51) | KDM4EAOC3ACHECASP1MEN1 | |
| SCHEMBL4323528 | 0.87 | TAAR1 (0.58) | TAAR1KDM4ENPC1RAB9AACHE | |
| SCHEMBL4321596 | 0.83 | AOC3 (0.50) | KITAOC3MEN1KMT2A | |
| SCHEMBL27809081 | 0.82 | RORC (0.50) | KDM4ENPC1RAB9AAOC3ACHE | |
| SCHEMBL4318487 | 0.82 | AOC3 (0.51) | KITAOC3 | |
| SCHEMBL4321581 | 0.77 | CHKA (0.46) | NPC1 | |
| SCHEMBL4332085 | 0.76 | CHKA (0.48) | NPC1ACHE | |
| SCHEMBL4321578 | 0.75 | KDM4E (0.35) | KDM4EACHE | |
| SCHEMBL4328642 | 0.75 | PRMT6 (0.54) | KDM4EACHEMEN1KMT2A |
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 2 patents. 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 | claimed |
| WO-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |