Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HTT | P42858 | 4/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28560875 | 0.73 | ALDH1A1 (0.47) | KMT2AMEN1MAPTALDH1A1NPC1 | |
| SCHEMBL9777499 | 0.71 | CYP2A6 (0.56) | CYP2A6KMT2AMEN1ALOX5MAPT | |
| SCHEMBL1736089 | 0.70 | MGAM (0.43) | CYP2A6KMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL9144199 | 0.69 | — | — | |
| SCHEMBL10489736 | 0.68 | CYP2A6 (0.54) | CYP2A6KMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL22834157 | 0.68 | CYP2A6 (0.68) | CYP2A6KMT2AMEN1ALOX5MAPT | |
| SCHEMBL12713532 | 0.68 | APP (0.58) | CYP2A6KMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL22833992 | 0.67 | CYP2A6 (0.53) | CYP2A6KMT2AMEN1ALOX5MAPT | |
| SCHEMBL13676789 | 0.67 | CYP2A6 (0.42) | CYP2A6KMT2AMEN1ALOX5MAPT | |
| SCHEMBL12446486 | 0.66 | GFER (0.34) | ALDH1A1RAB9AKDM4EL3MBTL1SMN1; SMN2 |
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-108373476-B | Kinase inhibitor and preparation and application thereof | 成都地奥制药集团有限公司 | 2021-06-01 | — | — | CN | disclosed |