Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL29216432 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL2387154 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL1525254 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL376449 | 0.73 | ALDH1A1 (0.46) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL28260841 | 0.72 | ALDH1A1 (0.50) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL20825133 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP3A4HSD17B10TDP1POLB | |
| SCHEMBL20101404 | 0.72 | TRPA1 (0.33) | PNMT | |
| SCHEMBL12961127 | 0.71 | GABRA1 (0.36) | ALDH1A1HSD17B10TSHRMAPTKDM4E | |
| SCHEMBL5675310 | 0.70 | ACHE (0.45) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL18007622 | 0.69 | CA2 (0.41) | PNMTSMN1; SMN2MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117794914-A | Pyrimidine-2, 4-diamine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient | 韩国化学研究院 | 2024-03-29 | — | — | CN | disclosed |