Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | GPR6 | P46095 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SLC16A3 | O15427 | 3/20 | 0.35 |
| ▸ | SLC16A1 | P53985 | 3/20 | 0.35 |
| ▸ | MCTS1 | Q9ULC4 | 2/20 | 0.35 |
| ▸ | WNK1 | Q9H4A3 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL314138 | 1.00 | ALDH1A1 (0.42) | ALDH1A1P2RX7SMN1; SMN2GLABRD4 | |
| SCHEMBL314787 | 0.91 | ALDH1A1 (0.45) | ALDH1A1P2RX7GLACNR1 | |
| SCHEMBL315855 | 0.91 | ALDH1A1 (0.45) | ALDH1A1P2RX7GLACNR1 | |
| SCHEMBL315856 | 0.91 | ALDH1A1 (0.45) | ALDH1A1P2RX7GLACNR1 | |
| SCHEMBL314088 | 0.84 | ALDH1A1 (0.45) | ALDH1A1P2RX7GLAHSD17B3CNR1 | |
| SCHEMBL314087 | 0.84 | ALDH1A1 (0.45) | ALDH1A1P2RX7GLAHSD17B3CNR1 | |
| SCHEMBL314086 | 0.84 | ALDH1A1 (0.45) | ALDH1A1P2RX7GLAHSD17B3CNR1 | |
| SCHEMBL313658 | 0.83 | HSD11B1 (0.41) | ALDH1A1SMN1; SMN2GLABRD4CNR1 | |
| SCHEMBL313656 | 0.83 | HSD11B1 (0.41) | ALDH1A1SMN1; SMN2GLABRD4CNR1 | |
| SCHEMBL313657 | 0.83 | HSD11B1 (0.41) | ALDH1A1SMN1; SMN2GLABRD4CNR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2322527-A1 | Triazole derivatives | Merck Patent GmbH (DE) | 2011-05-18 | — | — | EP | claimed |
| US-8093240-B2 | Triazole derivatives | MERCK PATENT GMBH (DE) | 2012-01-10 | — | — | US | disclosed |
| EP-2322527-A1 | Triazole derivatives | Merck Patent GmbH (DE) | 2011-05-18 | — | — | EP | disclosed |