Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.45 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | CCND2 | P30279 | 1/20 | 0.45 |
| ▸ | CCND3 | P30281 | 1/20 | 0.45 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3982930 | 0.78 | MAPT (0.52) | ALDH1A1MAPTCDK2CCNB2CCNE2 | |
| SCHEMBL30293901 | 0.76 | CES2 (0.71) | ALDH1A1MAPTCES2CES1ALOX15 | |
| SCHEMBL250099 | 0.76 | CES2 (0.71) | ALDH1A1MAPTCES2CES1ALOX15 | |
| SCHEMBL9832213 | 0.75 | LTA4H (0.44) | ALDH1A1MAPTCDK2CES2CES1 | |
| SCHEMBL27185988 | 0.74 | CES2 (0.68) | ALDH1A1MAPTCES2CES1ALOX15 | |
| Hydrochloric Acid SCHEMBL27733532 | 0.74 | CES2 (0.68) | ALDH1A1MAPTCES2CES1ALOX15 | |
| SCHEMBL31574193 | 0.74 | CES2 (0.68) | ALDH1A1MAPTCES2CES1ALOX15 | |
| SCHEMBL9831962 | 0.74 | PARP1 (0.47) | ALDH1A1CDK2CDK4CCND1CES2 | |
| SCHEMBL5282720 | 0.73 | MAPT (0.59) | ALDH1A1MAPTCES2CES1ALOX15 | |
| SCHEMBL29664874 | 0.73 | MAPT (0.59) | ALDH1A1MAPTCES2CES1ALOX15 |
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-0129846-B1 | (3-AMINO-1H-PYRAZOL-4-YL)(ARYL)METHANONES | AMERICAN CYANAMID COMPANY (US) | 1991-05-08 | — | — | EP | claimed |
| EP-0129846-A2 | (3-Amino-1H-pyrazol-4-yl)(aryl)methanones | AMERICAN CYANAMID COMPANY (US) | 1985-01-02 | — | — | EP | claimed |