Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | F12 | P00748 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Diaminopyrimidine SCHEMBL28289722 | 0.89 | MAPK1 (0.55) | ROCK1TSHRF12CES2CES1 | |
| SCHEMBL28257097 | 0.86 | TP53 (0.54) | CCNA2CDK2TP53TSHRF12 | |
| Hydrazine SCHEMBL27600958 | 0.81 | TP53 (0.69) | TP53TSHRCES2CES1MAPK1 | |
| SCHEMBL333455 | 0.81 | TP53 (0.73) | TP53TSHRCES2CES1MAPK1 | |
| Urea SCHEMBL28125526 | 0.80 | TSHR (0.70) | CCNA2CDK2TP53TSHRCES2 | |
| SCHEMBL28129120 | 0.80 | TP53 (0.71) | TP53TSHRCES2CES1MAPK1 | |
| Bromide SCHEMBL28137305 | 0.80 | TP53 (0.71) | TP53TSHRCES2CES1MAPK1 | |
| SCHEMBL11295596 | 0.80 | TP53 (0.71) | TP53TSHRCES2CES1MAPK1 | |
| SCHEMBL28217890 | 0.80 | TP53 (0.71) | TP53TSHRCES2CES1MAPK1 | |
| Phosphine SCHEMBL28281304 | 0.80 | TP53 (0.71) | TP53TSHRCES2CES1MAPK1 |
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-107903256-B | A kind of 2,4- di-amino-pyrimidine and its application containing substituted thiazole | 南方医科大学 | 2019-11-15 | — | — | CN | disclosed |
| CN-107098887-B | Pyrimidines | 复旦大学 | 2019-08-09 | — | — | CN | disclosed |
| CN-109593064-A | Dithiocarbamates compound as BTK inhibitor | 北京信辰医药科技有限公司 | 2019-04-09 | — | — | CN | disclosed |