Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27804610 | 0.69 | VCAM1 (0.35) | ALDH1A1MAPK1L3MBTL1VCAM1HRH4 | |
| SCHEMBL17293067 | 0.67 | AHR (0.44) | ALDH1A1MAPK1L3MBTL1VCAM1HRH4 | |
| SCHEMBL13993102 | 0.66 | ALDH1A1 (0.38) | ALDH1A1MAPK1L3MBTL1VCAM1HRH4 | |
| SCHEMBL27897828 | 0.65 | PNMT (0.45) | ALDH1A1 | |
| SCHEMBL11800281 | 0.64 | TSHR (0.62) | ALDH1A1MAPK1L3MBTL1VCAM1MAPT | |
| SCHEMBL27453650 | 0.64 | PNMT (0.41) | ALDH1A1MAPK1L3MBTL1HRH4AKR1B1 | |
| SCHEMBL28105226 | 0.64 | AHR (0.43) | GAATDP1 | |
| SCHEMBL30364214 | 0.64 | HRH4 (0.35) | ALDH1A1MAPK1L3MBTL1VCAM1HRH4 | |
| SCHEMBL27687591 | 0.63 | ERN1 (0.38) | ALDH1A1L3MBTL1AKR1B1MAPTPOLB | |
| Hydrochloric Acid SCHEMBL27650904 | 0.63 | AHR (0.42) | MAPTGAAMEN1KMT2A |
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-106170489-A | New Pyrazolopyrimidine derivative and the purposes as MALT1 inhibitor thereof | 诺华股份有限公司 | 2016-11-30 | — | — | CN | disclosed |