Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12656270 | 0.85 | ALDH1A1 (0.46) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL19834295 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL959122 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL19834263 | 0.81 | ALDH1A1 (0.72) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL959179 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL15906663 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL29402853 | 0.80 | CYP2C9 (0.68) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL78821 | 0.80 | CYP2C9 (0.68) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL29570568 | 0.80 | CYP2C9 (0.68) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL29567211 | 0.80 | CYP2C9 (0.68) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 |
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-2014114446-A1 | POLYMERIZABLE DENTAL COMPOSITION | DENTSPLY DETREY GMBH (DE) | 2014-07-31 | — | — | WO | disclosed |