Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL16621056 | 0.89 | CYP1A2 (0.45) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL14459050 | 0.82 | CYP1A2 (0.64) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL13544534 | 0.81 | ALDH1A1 (0.63) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL2454102 | 0.79 | ALDH1A1 (0.67) | CYP1A2USP2ALDH1A1LMNATSHR | |
| Hydrochloric Acid SCHEMBL4826508 | 0.79 | ALDH1A1 (0.61) | CYP1A2USP2ALDH1A1LMNATSHR | |
| Ammonia Solution, Strong SCHEMBL28636892 | 0.78 | ALDH1A1 (0.64) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL21645249 | 0.78 | CYP1A2 (0.39) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL25759896 | 0.77 | CYP1A2 (0.36) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL7442801 | 0.73 | CYP2C19 (0.42) | KMT2AKDM4ECYP2C19 | |
| SCHEMBL13593720 | 0.73 | CYP1A2 (0.51) | CYP1A2USP2ALDH1A1LMNATSHR |
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-2123652-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-11-25 | — | — | EP | disclosed |