Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 13/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 13/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 11/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 11/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 9/20 | 0.48 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.34 |
| ▸ | OGA | O60502 | 1/20 | 0.34 |
| ▸ | TLR4 | O00206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12862715 | 1.00 | ATM (0.53) | ATMALDH1A1KDM4ECHRNB2CHRNA4 | |
| SCHEMBL21384437 | 1.00 | ATM (0.53) | ATMALDH1A1KDM4ECHRNB2CHRNA4 | |
| SCHEMBL21384439 | 1.00 | ATM (0.53) | ATMALDH1A1KDM4ECHRNB2CHRNA4 | |
| SCHEMBL14428333 | 0.82 | ATM (0.52) | ATMALDH1A1KDM4ECHRNB2CHRNA4 | |
| SCHEMBL47794 | 0.81 | — | — | |
| SCHEMBL16174441 | 0.80 | CHRNB2 (0.50) | ATMCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL11889584 | 0.80 | CHRNB2 (0.50) | ATMCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL22233131 | 0.80 | CHRNB2 (0.50) | ATMCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL11889583 | 0.80 | CHRNB2 (0.50) | ATMCHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL6616254 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2252611-B1 | (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES | ORGANON NV (NL) | 2011-10-05 | — | — | EP | disclosed |