Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2056581 | 0.83 | TDP1 (0.64) | ALDH1A1TDP1TSHRSMN1; SMN2MAPT | |
| SCHEMBL635089 | 0.81 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRSMN1; SMN2MAPT | |
| SCHEMBL6316759 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRSMN1; SMN2MAPT | |
| SCHEMBL27363125 | 0.79 | MAPT (0.44) | ALDH1A1TDP1TSHRSMN1; SMN2MAPT | |
| SCHEMBL30870615 | 0.79 | MAPT (0.44) | ALDH1A1TDP1TSHRSMN1; SMN2MAPT | |
| SCHEMBL21543104 | 0.79 | MAPT (0.44) | ALDH1A1TDP1TSHRSMN1; SMN2MAPT | |
| SCHEMBL8917458 | 0.79 | MAPT (0.44) | ALDH1A1TDP1TSHRMAPTCA12 | |
| SCHEMBL28521563 | 0.79 | ALDH1A1 (0.95) | ALDH1A1TDP1TSHRSMN1; SMN2MAPT | |
| SCHEMBL10193193 | 0.78 | TDP1 (0.50) | ALDH1A1TDP1TSHRMAPTPOLB | |
| SCHEMBL2566822 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRSMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-111718332-B | 2-substituted pyrazol amino-4-substituted amino-5-pyrimidine formamide compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-111718332-A | 2-substituted pyrazol amino-4-substituted amino-5-pyrimidine formamide compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2020-09-29 | — | — | CN | disclosed |
| CN-104487433-B | Triazolone compounds as mPGES-1 inhibitors | 格兰马克药品股份有限公司 | 2016-12-07 | — | — | CN | disclosed |