Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | BCR | P11274 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.36 |
| ▸ | KDR | P35968 | 3/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28447698 | 0.98 | CYP1A2 (0.51) | CYP1A2CYP3A4CLK4CYP2D6HSD17B10 | |
| SCHEMBL16894166 | 0.77 | ABL1 (0.61) | CYP1A2CYP3A4CLK4CYP2D6HSD17B10 | |
| Hydrochloric Acid SCHEMBL16894261 | 0.76 | ABL1 (0.59) | CYP1A2CYP3A4CLK4CYP2D6HSD17B10 | |
| SCHEMBL28074525 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP3A4CLK4CYP2D6HSD17B10 | |
| SCHEMBL28242142 | 0.73 | CYP1A2 (0.58) | CYP1A2CYP3A4CLK4CYP2D6HSD17B10 | |
| SCHEMBL28451607 | 0.72 | MAPK1 (0.37) | KMT2ATNNI3KKDRMAPK14BRAF | |
| SCHEMBL17979199 | 0.71 | NPC1 (0.33) | ALDH1A1KMT2A | |
| SCHEMBL28451814 | 0.71 | CYP1A2 (0.49) | CYP1A2CYP3A4CLK4CYP2D6HSD17B10 | |
| SCHEMBL28017373 | 0.71 | ABL1 (0.55) | CYP1A2CYP3A4CLK4CYP2D6HSD17B10 | |
| Hydrochloric Acid SCHEMBL18047668 | 0.70 | NPC1 (0.32) | ALDH1A1KMT2A |
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-109476640-B | Bicyclic proline compounds | 豪夫迈·罗氏有限公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-107922392-B | 1- (hetero) arylsulfonyl- (pyrrolidine or piperidine) -2-carboxamide derivatives and uses thereof | 豪夫迈·罗氏有限公司 | 2020-07-21 | — | — | CN | disclosed |