Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 6/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.37 |
| ▸ | PPID | Q08752 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27981485 | 0.99 | AOC3 (0.47) | AOC3PTPN1NR3C2KDM4ELMNA | |
| SCHEMBL1432645 | 0.82 | AOC3 (0.56) | AOC3NR3C2KDM4ELMNASMN1; SMN2 | |
| SCHEMBL6788722 | 0.82 | AOC3 (0.50) | AOC3NR3C2KDM4ELMNANPSR1 | |
| Hydrochloric Acid SCHEMBL1432791 | 0.81 | AOC3 (0.55) | AOC3NR3C2KDM4ELMNASMN1; SMN2 | |
| SCHEMBL27808983 | 0.81 | AOC3 (0.50) | AOC3PTPN1NPC1PPID | |
| Hydrochloric Acid SCHEMBL27981813 | 0.80 | AOC3 (0.49) | AOC3PTPN1NPC1PPID | |
| SCHEMBL27808967 | 0.79 | ACACB (0.43) | PTPN1KDM4ELMNAMAPK8ADORA2A | |
| SCHEMBL27808972 | 0.79 | PTPN1 (0.66) | AOC3PTPN1KDM4ELMNASMN1; SMN2 | |
| SCHEMBL973474 | 0.79 | AOC3 (0.70) | AOC3MAOBSMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL28813926 | 0.78 | ACACB (0.42) | PTPN1KDM4ELMNAMAPK8ADORA2A |
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 |