Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9100639 | 0.84 | MAPK1 (0.45) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL12777541 | 0.82 | MAPK1 (0.44) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL12777540 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL28812869 | 0.80 | KDM4E (0.40) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL1393341 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL1392959 | 0.77 | ALDH1A1 (0.43) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL27968905 | 0.77 | ADORA3 (0.39) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL24374892 | 0.76 | ALDH1A1 (0.40) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL14916940 | 0.76 | ALDH1A1 (0.42) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL14925991 | 0.75 | ALDH1A1 (0.42) | ALDH1A1MAPK1MAPTMEN1KMT2A |
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-104024255-A | Alkylated piperazine compounds as inhibitors of BTK activity | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | disclosed |