Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9717165 | 0.81 | AOC3 (0.45) | AOC3ADRA2CCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10695564 | 0.80 | KCNA3 (0.42) | KCNA3HSD17B10MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL10697193 | 0.77 | CA12 (0.42) | AOC3USP2MEN1KMT2AHTT | |
| SCHEMBL9717180 | 0.76 | AOC3 (0.43) | AOC3MEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10765887 | 0.74 | MTNR1A (0.41) | KCNA3 | |
| SCHEMBL449304 | 0.74 | ESR1 (0.46) | AOC3HSD17B10MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL6488567 | 0.74 | AOC3 (0.64) | AOC3 | |
| SCHEMBL6485606 | 0.73 | HDAC3 (0.47) | ADRA2CSMN1; SMN2NPSR1ALDH1A1TP53 | |
| SCHEMBL253120 | 0.72 | NPC1 (0.47) | AOC3ESR1TP53 | |
| SCHEMBL6627229 | 0.72 | USP2 (0.46) | KCNA3KCNN4KCNA5USP2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0252482-A2 | 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-13 | — | — | EP | disclosed |
| EP-0217372-A2 | Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |