Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL562062 | 0.88 | CA2 (0.58) | CA2ALDH1A1NPSR1CYP3A4TSHR | |
| SCHEMBL411517 | 0.88 | CA2 (0.58) | CA2ALDH1A1NPSR1CYP3A4TSHR | |
| SCHEMBL898388 | 0.88 | CA2 (0.58) | CA2ALDH1A1NPSR1CYP3A4TSHR | |
| SCHEMBL2548348 | 0.80 | STAT3 (0.43) | CA2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4621606 | 0.80 | STAT3 (0.43) | CA2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2548351 | 0.80 | STAT3 (0.43) | CA2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23540262 | 0.80 | CA2 (0.43) | CA2ALDH1A1NPSR1CYP3A4TSHR | |
| Acetone SCHEMBL8766802 | 0.79 | STAT3 (0.43) | CA2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| Acetone SCHEMBL9451549 | 0.79 | STAT3 (0.43) | CA2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| Acetone SCHEMBL8568091 | 0.79 | STAT3 (0.43) | CA2ALDH1A1CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022216945-A1 | MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-10-13 | — | — | WO | disclosed |