Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7798261 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CYP2D6ATMPOLBLTA4H | |
| SCHEMBL9391584 | 0.78 | GRM4 (0.43) | ALDH1A1LTA4HTLR8TLR7 | |
| SCHEMBL481902 | 0.77 | ALDH1A1 (0.59) | ALDH1A1CYP2D6ATMPOLBLTA4H | |
| SCHEMBL30366498 | 0.75 | ALDH1A1 (0.65) | ALDH1A1CYP2D6ATMPOLBLTA4H | |
| SCHEMBL28283248 | 0.74 | CYP11B1 (0.39) | ALDH1A1CYP2D6ATMPOLBLTA4H | |
| SCHEMBL28172483 | 0.73 | RAB9A (0.50) | ALDH1A1CYP2D6ATMPOLBLTA4H | |
| SCHEMBL29393410 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP2D6ATMPOLBLTA4H | |
| SCHEMBL28039277 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP2D6ATMPOLBLTA4H | |
| SCHEMBL28047019 | 0.72 | ALDH1A1 (0.46) | ALDH1A1CYP2D6ATMLTA4HLMNA | |
| SCHEMBL4439445 | 0.71 | ALDH1A1 (0.51) | ALDH1A1CYP2D6ATMPOLBLTA4H |
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 |
|---|---|---|---|---|---|---|---|
| CN-105008367-A | Pyrrolotriazines as potassium ion channel inhibitors | BRISTOL MYERS SQUIBB CO | 2015-10-28 | — | — | CN | disclosed |