Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | CDC25B | P30305 | 1/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.55 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL378576 | 0.89 | ALDH1A1 (0.55) | ALDH1A1CDC25BCASP6RCE1IP6K1 | |
| SCHEMBL145531 | 0.82 | ALDH1A1 (0.54) | ALDH1A1CDC25BCASP6RCE1RAB9A | |
| SCHEMBL28088900 | 0.81 | ALDH1A1 (0.40) | ALDH1A1RAB9ANPC1POLBTP53 | |
| SCHEMBL26088079 | 0.80 | IP6K1 (0.68) | ALDH1A1CDC25BCASP6RCE1POLB | |
| SCHEMBL16054965 | 0.80 | ALDH1A1 (0.58) | ALDH1A1RAB9ANPC1POLBTP53 | |
| SCHEMBL13163094 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CDC25BCASP6RCE1RAB9A | |
| SCHEMBL28821020 | 0.78 | KDM4E (0.49) | ALDH1A1RAB9ANPC1POLBTP53 | |
| SCHEMBL378373 | 0.77 | LMNA (0.54) | LMNA | |
| SCHEMBL648210 | 0.76 | ALDH1A1 (0.72) | ALDH1A1CDC25BCASP6RCE1RAB9A | |
| SCHEMBL4935781 | 0.76 | ALDH1A1 (0.57) | ALDH1A1RAB9ANPC1POLBTP53 |
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-105859639-A | NOVEL ANTI-INFLAMMATORY AGENTS | 雷斯韦洛吉克斯公司 | 2016-08-17 | — | — | CN | disclosed |