Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 8/20 | 0.58 |
| ▸ | MAPT | P10636 | 7/20 | 0.58 |
| ▸ | NPC1 | O15118 | 7/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.58 |
| ▸ | RELA | Q04206 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HK1 | P19367 | 1/20 | 0.51 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 4/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3801938 | 0.84 | KDM4E (0.51) | ALDH1A1RAB9AMAPTNPC1KDM4E | |
| SCHEMBL9957782 | 0.81 | KDM4E (0.62) | ALDH1A1CYP3A4RAB9AMAPTNPC1 | |
| SCHEMBL61174 | 0.81 | RECQL (0.53) | ALDH1A1RAB9AMAPTNPC1KDM4E | |
| Hydrochloric Acid SCHEMBL5450269 | 0.77 | ALDH1A1 (0.92) | ALDH1A1CYP3A4RAB9AMAPTNPC1 | |
| Bromide SCHEMBL5325472 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP3A4RAB9AMAPTNPC1 | |
| SCHEMBL1029102 | 0.77 | ALDH1A1 (0.66) | ALDH1A1CYP3A4RAB9AMAPTNPC1 | |
| SCHEMBL44869 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP3A4RAB9AMAPTNPC1 | |
| Bromide SCHEMBL7128948 | 0.75 | ALDH1A1 (0.96) | ALDH1A1CYP3A4RAB9AMAPTNPC1 | |
| SCHEMBL1771825 | 0.74 | ALDH1A1 (0.79) | ALDH1A1CYP3A4RAB9AMAPTNPC1 | |
| SCHEMBL2907964 | 0.73 | ALDH1A1 (1.00) | ALDH1A1CYP3A4RAB9AMAPTNPC1 |
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-1587800-A1 | THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS | Astellas Pharma Inc. (JP) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004067521-A1 | THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2004-08-12 | — | — | WO | disclosed |