Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.40 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 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 | |
|---|---|---|---|---|
| SCHEMBL12780874 | 0.80 | NPC1 (0.42) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL250872 | 0.78 | ALDH1A1 (0.52) | ALDH1A1GLATSHRKMT2AMEN1 | |
| SCHEMBL8342856 | 0.74 | ALDH1A1 (0.47) | ALDH1A1GLATSHRKMT2AMEN1 | |
| SCHEMBL27544700 | 0.73 | ALDH1A1 (0.46) | ALDH1A1GLATSHRKMT2AMEN1 | |
| SCHEMBL16782155 | 0.72 | MAPT (0.49) | ALDH1A1TSHRKMT2AMEN1MAPT | |
| SCHEMBL2067907 | 0.72 | ALDH1A1 (0.39) | ALDH1A1GLATSHRKMT2AMEN1 | |
| SCHEMBL19708072 | 0.71 | MEN1 (0.66) | TSHRKMT2AMEN1MAPTPOLB | |
| SCHEMBL4667658 | 0.70 | ALDH1A1 (0.61) | ALDH1A1GLATSHRKMT2AMEN1 | |
| SCHEMBL27901558 | 0.70 | ALDH1A1 (0.43) | ALDH1A1GLATSHRKMT2AMEN1 | |
| SCHEMBL10535687 | 0.69 | ALDH1A1 (0.59) | ALDH1A1GLATSHRKMT2AMEN1 |
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 |