Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.43 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.43 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5776237 | 0.84 | CYP2A6 (0.42) | ALDH1A1KDM4EBCHEACHECYP2A6 | |
| SCHEMBL470309 | 0.82 | HRH3 (0.56) | ALDH1A1ACHECYP2A6CYP2A13TSHR | |
| SCHEMBL9679480 | 0.81 | PYCR1 (0.43) | ALDH1A1KDM4EBCHEACHEMEN1 | |
| Hydrochloric Acid SCHEMBL5778800 | 0.80 | HRH3 (0.54) | ALDH1A1ACHECYP2A6CYP2A13TSHR | |
| SCHEMBL8484118 | 0.79 | ACHE (0.52) | ALDH1A1KDM4EBCHEACHECYP2A6 | |
| SCHEMBL7989985 | 0.79 | HRH3 (0.59) | ALDH1A1CYP2A6CYP2A13ALDH3A1ALDH1A3 | |
| Benzene SCHEMBL28037716 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CYP2A6CYP2A13TSHRALDH3A1 | |
| SCHEMBL10065870 | 0.76 | PYCR1 (0.55) | ALDH1A1KDM4EBCHEACHEMEN1 | |
| SCHEMBL10083411 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4EBCHEACHEMEN1 | |
| Hydrochloric Acid SCHEMBL9442706 | 0.76 | HRH3 (0.65) | ALDH1A1CYP2A6CYP2A13TSHRALDH3A1 |
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-1551841-A1 | PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS | SmithKline Beecham Corporation (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004009602-A1 | PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-01-29 | — | — | WO | disclosed |