Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.69 |
| ▸ | MEN1 | O00255 | 3/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4086221 | 0.90 | TDP1 (0.59) | KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL16622216 | 0.86 | IKBKB (0.52) | KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL1432076 | 0.85 | SMN1; SMN2 (0.65) | KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL2069541 | 0.84 | SMN1; SMN2 (0.63) | KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL16622211 | 0.82 | KDM4E (0.45) | KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL16622225 | 0.80 | PTK2 (0.46) | KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL1432754 | 0.80 | MEN1 (0.61) | KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E | |
| Tert-Butyl Formate SCHEMBL27809024 | 0.78 | KMT2A (0.51) | KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL16622218 | 0.77 | ACACB (0.43) | KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL27808962 | 0.77 | RAB9A (0.61) | KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2886534-A1 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-Tech Ueno, Ltd. (JP) | 2015-06-24 | — | — | EP | disclosed |
| US-8999989-B2 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-TECH UENO, LTD. (JP) | 2015-04-07 | — | — | US | disclosed |