Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24928031 | 0.79 | — | — | |
| SCHEMBL18085492 | 0.78 | GAA (0.36) | L3MBTL1KDM4EGAAALDH1A1GLA | |
| SCHEMBL254577 | 0.75 | — | — | |
| SCHEMBL12946059 | 0.71 | MGLL (0.31) | — | |
| SCHEMBL1221354 | 0.71 | — | — | |
| SCHEMBL20614479 | 0.71 | CA12 (0.45) | L3MBTL1KDM4EALDH1A1GLASMN1; SMN2 | |
| SCHEMBL10001930 | 0.71 | CA12 (0.45) | L3MBTL1KDM4EALDH1A1GLASMN1; SMN2 | |
| SCHEMBL2123718 | 0.71 | CA12 (0.45) | L3MBTL1KDM4EALDH1A1GLASMN1; SMN2 | |
| SCHEMBL684388 | 0.71 | — | — | |
| SCHEMBL4622 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021071812-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |
| WO-2007054550-A1 | QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-18 | — | — | WO | disclosed |
| WO-2007054551-A1 | COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-18 | — | — | WO | disclosed |