Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | FPR3 | P25089 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8202246 | 0.82 | KMT2A (0.50) | ALDH1A1CYP1A2CYP2C19HSD11B1TAS1R3 | |
| SCHEMBL8204207 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C19HSD11B1LMNA | |
| SCHEMBL8203636 | 0.77 | CYP1A2 (0.62) | ALDH1A1CYP1A2CYP2C19LMNATDP1 | |
| SCHEMBL31690650 | 0.73 | SMN1; SMN2 (0.58) | ALDH1A1CYP1A2CYP2C19HSD11B1LMNA | |
| SCHEMBL15318323 | 0.67 | CYP1A2 (0.77) | ALDH1A1CYP1A2CYP2C19LMNATDP1 | |
| SCHEMBL3422911 | 0.67 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19LMNATDP1 | |
| SCHEMBL6752172 | 0.67 | CYP1A2 (0.65) | ALDH1A1CYP1A2CYP2C19LMNATDP1 | |
| SCHEMBL8208537 | 0.65 | KMT2A (0.53) | ALDH1A1CYP1A2CYP2C19LMNATDP1 | |
| SCHEMBL746674 | 0.65 | CYP1A2 (0.67) | ALDH1A1CYP1A2CYP2C19LMNATDP1 | |
| SCHEMBL13995588 | 0.65 | CYP1A2 (0.77) | ALDH1A1CYP1A2CYP2C19LMNATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008042480-A2 | EPOXIDE INHIBITORS OF CYSTEINE PROTEASES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2008-04-10 | — | — | WO | disclosed |