Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | EGLN1 | Q9GZT9 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CCR1 | P32246 | 3/20 | 0.44 |
| ▸ | CCR5 | P51681 | 3/20 | 0.44 |
| ▸ | CCR8 | P51685 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL643192 | 0.84 | ALDH1A1 (0.46) | ALDH1A1EGLN1NPC1CASP3RAB9A | |
| SCHEMBL13943232 | 0.81 | ALDH1A1 (0.54) | ALDH1A1EGLN1NPC1CASP3RAB9A | |
| SCHEMBL644794 | 0.81 | ALDH1A1 (0.68) | ALDH1A1EGLN1NPC1CASP3RAB9A | |
| SCHEMBL3502575 | 0.77 | KDM4E (0.56) | ALDH1A1EGLN1NPC1CASP3RAB9A | |
| SCHEMBL15445449 | 0.77 | ALDH1A1 (0.50) | ALDH1A1EGLN1NPC1CASP3RAB9A | |
| SCHEMBL9983599 | 0.76 | ALDH1A1 (0.49) | ALDH1A1EGLN1NPC1CASP3RAB9A | |
| SCHEMBL23714060 | 0.74 | EGLN1 (0.56) | ALDH1A1EGLN1NPC1CASP3RAB9A | |
| SCHEMBL18069879 | 0.72 | ALDH1A1 (0.49) | ALDH1A1EGLN1KDM4EMAPTHTT | |
| SCHEMBL4961749 | 0.71 | PARP1 (0.62) | ALDH1A1NPC1CASP3RAB9ASENP8 | |
| Phenanthroline SCHEMBL28097109 | 0.70 | LMNA (0.73) | ALDH1A1EGLN1LMNAKDM4ECCR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7396849-B2 | 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists | ALLERGAN, INC. (US) | 2008-07-08 | — | — | US | disclosed |