Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 15/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27981821 | 0.99 | ACACB (0.43) | ACACBPTK2PTPN1AOC3KDM4E | |
| SCHEMBL27809002 | 0.88 | ACACB (0.43) | ACACBPTPN1AOC3KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL27981776 | 0.87 | ACACB (0.43) | ACACBPTPN1AOC3KDM4EMEN1 | |
| SCHEMBL1432897 | 0.84 | RAB9A (0.44) | ACACBPTK2AOC3KDM4EMEN1 | |
| SCHEMBL27808983 | 0.84 | AOC3 (0.50) | PTK2PTPN1AOC3 | |
| SCHEMBL27808962 | 0.83 | RAB9A (0.61) | PTPN1KDM4EMEN1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL1432991 | 0.83 | RAB9A (0.43) | ACACBPTK2AOC3KDM4EMEN1 | |
| SCHEMBL27829450 | 0.83 | EGLN1 (0.41) | ACACBPTPN1AOC3KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL27981813 | 0.82 | AOC3 (0.49) | PTK2PTPN1AOC3 | |
| Hydrochloric Acid SCHEMBL27829482 | 0.82 | RAB9A (0.59) | PTPN1AOC3KDM4EMEN1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102046601-A | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R TECH UENO LTD | 2011-05-04 | — | — | CN | claimed |
| CN-102046601-B | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R TECH UENO LTD | 2014-08-27 | — | — | CN | disclosed |
| CN-102046601-A | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R TECH UENO LTD | 2011-05-04 | — | — | CN | disclosed |