Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL27846983 | 0.76 | TAAR1 (0.46) | CYP2D6KDM1AKDM1BKDM4EALDH1A1 | |
| SCHEMBL25327645 | 0.74 | TDP1 (0.37) | CYP1A2CYP2D6CYP2C19KDM1AKDM1B | |
| SCHEMBL28419957 | 0.74 | KDM1A (0.33) | KDM1AKDM1B | |
| SCHEMBL31571441 | 0.74 | CNR1 (0.34) | CYP1A2CYP2D6CYP2C19POLBKDM1A | |
| SCHEMBL6011725 | 0.73 | IDO1 (0.39) | CYP1A2CYP2D6CYP2C19POLB | |
| SCHEMBL6926909 | 0.73 | IDO1 (0.41) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL30254643 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C19KDM1AALDH1A1 | |
| SCHEMBL28413434 | 0.73 | KDM1A (0.32) | KDM1AKDM1B | |
| SCHEMBL28945162 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C19KDM1AALDH1A1 | |
| SCHEMBL18196177 | 0.72 | HTR2A (0.50) | — |
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-106795117-B | Heterobicyclic compounds and their use for the treatment of tuberculosis | 大塚制药株式会社 | 2020-06-26 | — | — | CN | disclosed |