Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | G6PD | P11413 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10611271 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL9300170 | 0.82 | CA2 (0.46) | ALDH1A1TSHRHPGDKMT2AHSD17B10 | |
| SCHEMBL202439 | 0.81 | CA2 (0.56) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL2862421 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL9911548 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL5113828 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL25660462 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL3658844 | 0.79 | CA2 (0.57) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL5113831 | 0.79 | CA2 (0.54) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL11141629 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPK1CYP3A4TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000023444-A1 | 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS | ABBOTT LABORATORIES (US) | 2000-04-27 | — | — | WO | disclosed |
| EP-0989986-A1 | 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS | Abbott Laboratories (US) | 2000-04-05 | — | — | EP | disclosed |
| WO-1998046605-A1 | 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 1998-10-22 | — | — | WO | disclosed |