Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9957516 | 0.78 | HSD17B10 (0.69) | HSD17B10NPSR1CYP1A2CYP3A4HPGD | |
| SCHEMBL9956376 | 0.71 | HSD17B10 (0.42) | HSD17B10NPSR1HPGDALDH1A1MAPT | |
| SCHEMBL9956088 | 0.71 | HSD17B10 (0.42) | HSD17B10NPSR1CYP1A2CYP3A4HPGD | |
| SCHEMBL13303521 | 0.68 | ALDH1A1 (0.39) | HSD17B10NPSR1CYP1A2CYP3A4HPGD | |
| SCHEMBL11649419 | 0.61 | HSD17B10 (1.00) | HSD17B10NPSR1CYP1A2CYP3A4HPGD | |
| SCHEMBL10818764 | 0.60 | KMT2A (0.32) | CYP3A4 | |
| SCHEMBL4163347 | 0.60 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL2154609 | 0.60 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL2162561 | 0.59 | GABRA1 (0.50) | HSD17B10CYP1A2CYP3A4HPGDKDM4E | |
| Formaldehyde SCHEMBL26124284 | 0.59 | HSD17B10 (0.61) | HSD17B10NPSR1HPGDKDM4EALDH1A1 |
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-2655323-A1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO LABORATORIES LIMITED (IE) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012083953-A1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO PHARMA A/S (DK) | 2012-06-28 | — | — | WO | disclosed |