Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | APEX1 | P27695 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CPA3 | P15088 | 1/20 | 0.36 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.35 |
| ▸ | CDC25A | P30304 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9960701 | 0.76 | CYP1A2 (0.36) | CYP2D6POLBHPGDCYP1A2TSHR | |
| SCHEMBL9960819 | 0.73 | LMNA (0.36) | ALDH1A1POLBHPGDCYP1A2TSHR | |
| SCHEMBL2426303 | 0.72 | KEAP1 (0.44) | APEX1MAPK1CYP1A2TSHRMAP2K7 | |
| SCHEMBL9960632 | 0.72 | ATM (0.36) | ALDH1A1POLBHSD17B10CYP1A2TSHR | |
| SCHEMBL9960657 | 0.71 | MEN1 (0.42) | CYP2D6POLBMAPK1CYP1A2TSHR | |
| SCHEMBL10042378 | 0.70 | RIPK1 (0.52) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL8673121 | 0.70 | RIPK1 (0.52) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL242853 | 0.70 | RIPK1 (0.52) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL5743278 | 0.69 | RIPK1 (0.50) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL2530115 | 0.68 | AKR1B1 (0.41) | ALDH1A1POLBCYP1A2TSHR |
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-2655311-A1 | INGENOL-3-ACYLATES I | LEO LABORATORIES LIMITED (IE) | 2013-10-30 | — | — | EP | claimed |
| WO-2012085189-A1 | INGENOL-3-ACYLATES I | LEO PHARMA A/S (DK) | 2012-06-28 | — | — | WO | claimed |