Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA6 | P23280 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6648576 | 0.72 | CA1 (0.48) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL29203954 | 0.72 | CA1 (0.48) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL9372764 | 0.69 | CA1 (0.48) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL4425921 | 0.69 | CA1 (0.48) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL11436968 | 0.65 | CA1 (0.44) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL68634 | 0.64 | GPR3 (0.38) | ALDH1A1MEN1KMT2A | |
| SCHEMBL29156445 | 0.63 | CA1 (0.42) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL70001 | 0.62 | GPR3 (0.44) | ALDH1A1MEN1KMT2A | |
| SCHEMBL7327915 | 0.61 | BCHE (0.32) | — | |
| SCHEMBL7327912 | 0.61 | BCHE (0.32) | — |
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-114349796-A | Cationic metal complex iridium-iminoquinoline crystal material and preparation method thereof | 江苏大学 | 2022-04-15 | — | — | CN | claimed |
| CN-114349796-A | Cationic metal complex iridium-iminoquinoline crystal material and preparation method thereof | 江苏大学 | 2022-04-15 | — | — | CN | disclosed |