Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL38651346 | 0.86 | CYP1A2 (0.49) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL30462075 | 0.79 | CYP17A1 (0.40) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL31521747 | 0.71 | CYP17A1 (0.39) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL26627864 | 0.71 | RORC (0.42) | — | |
| SCHEMBL31368665 | 0.71 | RORC (0.42) | — | |
| SCHEMBL30538048 | 0.70 | CYP17A1 (0.38) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL26627798 | 0.69 | USP1 (0.58) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL30462090 | 0.69 | USP1 (0.58) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL31521740 | 0.69 | MAPK1 (0.42) | CYP3A4HSD17B10ALDH1A1CYP17A1CYP2C19 | |
| SCHEMBL30816580 | 0.69 | CYP17A1 (0.39) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118660872-A | Pyrimidine compound, preparation method and medical application thereof | 江苏亚虹医药科技股份有限公司 | 2024-09-17 | — | — | CN | disclosed |
| CN-116496252-A | Pyrimidine compound, preparation method and medical application thereof | 江苏亚虹医药科技股份有限公司 | 2023-07-28 | — | — | CN | disclosed |