Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL108144 | 0.76 | AKT1 (0.54) | AKT1ALDH1A1CES2CES1TSHR | |
| SCHEMBL12919933 | 0.74 | AKT1 (0.41) | AKT1ALDH1A1CES2CES1TSHR | |
| SCHEMBL7854362 | 0.74 | AKT1 (0.41) | AKT1ALDH1A1CES2CES1TSHR | |
| SCHEMBL58595 | 0.74 | ALDH1A1 (0.54) | AKT1ALDH1A1CES2CES1TSHR | |
| SCHEMBL23837641 | 0.72 | NFE2L2 (0.54) | AKT1ALDH1A1CES2CES1TSHR | |
| SCHEMBL3848082 | 0.72 | ALDH1A1 (0.42) | AKT1ALDH1A1CES2CES1TSHR | |
| Butadiene SCHEMBL3389124 | 0.72 | AKT1 (0.50) | AKT1ALDH1A1CES2CES1TSHR | |
| SCHEMBL9642980 | 0.70 | ALDH1A1 (0.42) | AKT1ALDH1A1CES2CES1TSHR | |
| SCHEMBL1071816 | 0.70 | AKT1 (0.38) | AKT1ALDH1A1CES2CES1TSHR | |
| SCHEMBL6258204 | 0.70 | MEN1 (0.42) | AKT1ALDH1A1CES2CES1TSHR |
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-0402062-A2 | Compounds | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-12-12 | — | — | EP | disclosed |