Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.38 |
| ▸ | NAAA | Q02083 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.34 |
| ▸ | GLS | O94925 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4052380 | 0.99 | NPC1 (0.40) | CYP1A2CYP2C9TSHRCYP2C19ALDH1A1 | |
| SCHEMBL4056607 | 0.99 | NPC1 (0.40) | CYP1A2CYP2C9TSHRCYP2C19ALDH1A1 | |
| SCHEMBL4055070 | 0.99 | NPC1 (0.40) | CYP1A2CYP2C9TSHRCYP2C19ALDH1A1 | |
| SCHEMBL4049541 | 0.99 | NPC1 (0.40) | CYP1A2CYP2C9TSHRCYP2C19ALDH1A1 | |
| SCHEMBL4060299 | 0.83 | PPARA (0.40) | TSHRALDH1A1SMN1; SMN2LMNAPPARG | |
| SCHEMBL4057726 | 0.83 | PPARA (0.40) | TSHRALDH1A1SMN1; SMN2LMNAPPARG | |
| SCHEMBL4051014 | 0.82 | ALDH1A1 (0.44) | CYP1A2CYP2C9TSHRCYP2C19ALDH1A1 | |
| SCHEMBL4057260 | 0.79 | NAAA (0.52) | CYP1A2CYP2C9TSHRCYP2C19ALDH1A1 | |
| SCHEMBL4376768 | 0.79 | NAAA (0.52) | CYP1A2CYP2C9TSHRCYP2C19ALDH1A1 | |
| SCHEMBL4364759 | 0.79 | NAAA (0.52) | CYP1A2CYP2C9TSHRCYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009110655-A1 | NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES | SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) | 2009-09-11 | — | — | WO | disclosed |