Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | PGK1 | P00558 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19189539 | 0.86 | HTT (0.45) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL25083596 | 0.81 | JAK2 (0.36) | PGK1CHRNA7JAK2JAK3KDM4E | |
| SCHEMBL19260116 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3848724 | 0.79 | MAPT (0.45) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2068017 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL31690174 | 0.78 | ALDH1A1 (0.34) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15649492 | 0.78 | KMT2A (0.39) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21360995 | 0.78 | MAPK1 (0.38) | CYP2C9PGK1CHRNA7JAK2JAK3 | |
| SCHEMBL28715816 | 0.78 | MAPT (0.38) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL28665193 | 0.77 | ALDH1A1 (0.38) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 |
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-2396301-A2 | SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS | Jerini AG (DE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010091876-A2 | SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS | JERINI AG (DE) | 2010-08-19 | — | — | WO | disclosed |