Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | MGLL | Q99685 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 3/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26815540 | 0.94 | CA1 (0.51) | CA1CA2MGLLESR1ESR2 | |
| SCHEMBL26815452 | 0.94 | CA1 (0.58) | CA1CA2MGLLESR1ESR2 | |
| SCHEMBL556193 | 0.90 | CA1 (0.58) | CA1CA2MGLLESR1ESR2 | |
| SCHEMBL7596294 | 0.88 | ESR1 (0.55) | CA1CA2ESR1ESR2HSD17B1 | |
| SCHEMBL7592479 | 0.88 | ESR1 (0.55) | CA1CA2ESR1ESR2HSD17B1 | |
| SCHEMBL1889241 | 0.88 | CA1 (0.69) | CA1CA2MGLLESR1ESR2 | |
| SCHEMBL7593435 | 0.88 | ESR1 (0.55) | CA1CA2ESR1ESR2HSD17B1 | |
| SCHEMBL20313370 | 0.88 | ESR1 (0.55) | CA1CA2ESR1ESR2HSD17B1 | |
| SCHEMBL7590115 | 0.88 | ESR1 (0.55) | CA1CA2ESR1ESR2HSD17B1 | |
| SCHEMBL20313371 | 0.88 | ESR1 (0.55) | CA1CA2ESR1ESR2HSD17B1 |
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-114981991-A | Organic electroluminescent element | 保土谷化学工业株式会社 | 2022-08-30 | — | — | CN | disclosed |