Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 16/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1432507 | 0.89 | ACACB (0.42) | ACACBKDM4EMEN1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL1432946 | 0.88 | ACACB (0.41) | ACACBKDM4EMEN1ALDH1A1HPGD | |
| SCHEMBL16622225 | 0.86 | PTK2 (0.46) | ACACBKDM4EMEN1ALDH1A1HPGD | |
| SCHEMBL27809002 | 0.83 | ACACB (0.43) | ACACBKDM4EMEN1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL27981776 | 0.82 | ACACB (0.43) | ACACBKDM4EMEN1ALDH1A1HPGD | |
| SCHEMBL16622212 | 0.77 | KMT2A (0.69) | ACACBKDM4EMEN1ALDH1A1HPGD | |
| SCHEMBL1432897 | 0.77 | RAB9A (0.44) | ACACBKDM4EMEN1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL1432991 | 0.76 | RAB9A (0.43) | ACACBKDM4EMEN1ALDH1A1HPGD | |
| SCHEMBL16622220 | 0.75 | EGLN1 (0.41) | ACACBKDM4EMEN1ALDH1A1HPGD | |
| SCHEMBL16622211 | 0.73 | KDM4E (0.45) | ACACBKDM4EMEN1ALDH1A1HPGD |
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-8999989-B2 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-TECH UENO, LTD. (JP) | 2015-04-07 | — | — | US | disclosed |