Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | RAB9A | P51151 | 8/20 | 0.53 |
| ▸ | MAPT | P10636 | 7/20 | 0.53 |
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.53 |
| ▸ | RELA | Q04206 | 2/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HK1 | P19367 | 1/20 | 0.51 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL454285 | 0.98 | ALDH1A1 (0.51) | ALDH1A1RAB9AMAPTNPC1SMN1; SMN2 | |
| SCHEMBL6973568 | 0.81 | ALDH1A1 (0.53) | ALDH1A1RAB9AMAPTNPC1SMN1; SMN2 | |
| SCHEMBL474314 | 0.76 | RAB9A (0.59) | ALDH1A1RAB9AMAPTNPC1SMN1; SMN2 | |
| SCHEMBL27796038 | 0.76 | KMO (0.67) | ALDH1A1RAB9AMAPTNPC1KDM4E | |
| SCHEMBL1804064 | 0.75 | MAPT (0.65) | ALDH1A1RAB9AMAPTNPC1SMN1; SMN2 | |
| Bromide SCHEMBL8355363 | 0.75 | RAB9A (0.57) | ALDH1A1RAB9AMAPTNPC1SMN1; SMN2 | |
| SCHEMBL1771825 | 0.74 | ALDH1A1 (0.79) | ALDH1A1RAB9AMAPTNPC1SMN1; SMN2 | |
| SCHEMBL4027001 | 0.73 | IDO1 (0.55) | CYP19A1IDO1ROCK2GSK3B | |
| SCHEMBL430121 | 0.73 | LTA4H (0.83) | ALDH1A1RAB9AMAPTNPC1SMN1; SMN2 | |
| SCHEMBL476082 | 0.73 | LTA4H (0.56) | ALDH1A1RAB9AMAPTNPC1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101472920-A | Selective inhibitors of ROCK protein kinase and uses thereof | VERTEX PHARMA (US) | 2009-07-01 | — | — | CN | disclosed |