Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | ALDH5A1 | P51649 | 2/20 | 0.39 |
| ▸ | ABAT | P80404 | 2/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10106314 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CNR1CNR2RAB9AKDM4E | |
| SCHEMBL7069587 | 0.81 | ALDH1A1 (0.46) | ALDH1A1ALDH5A1ABATTRIM24HPGD | |
| SCHEMBL7073812 | 0.81 | ALDH5A1 (0.50) | ALDH1A1RAB9AKDM4EPTGS2ALDH5A1 | |
| SCHEMBL7072437 | 0.80 | ALDH1A1 (0.49) | ALDH1A1RAB9AKDM4EPTGS2ALDH5A1 | |
| SCHEMBL7676281 | 0.78 | KDM4E (0.47) | ALDH1A1RAB9AKDM4EPTGS2ALDH5A1 | |
| SCHEMBL7074379 | 0.77 | KDM4E (0.50) | ALDH1A1RAB9AKDM4EPTGS2ALDH5A1 | |
| SCHEMBL7074332 | 0.77 | ALDH1A1 (0.51) | ALDH1A1RAB9AKDM4EPTGS2MCL1 | |
| SCHEMBL10106385 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CNR2RAB9AKDM4EPTGS2 | |
| SCHEMBL13257341 | 0.77 | KDM4E (0.61) | ALDH1A1RAB9AKDM4EPTGS2ALDH5A1 | |
| SCHEMBL17557807 | 0.75 | IDH1 (0.49) | ALDH1A1RAB9AKDM4EPTGS2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6495580-B1 | A BENZYLIDENE DERIVATIVE CONTAINING HETEROCYCLIC RING IS USEFUL AS PNEUMOVIRUS INHIBITOR | VIROPHARMA INCORPORATED | 2002-12-17 | — | — | US | disclosed |