Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | RPS6KA2 | Q15349 | 8/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 4/20 | 0.40 |
| ▸ | CES1 | P23141 | 4/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9848755 | 0.88 | MAPK1 (0.56) | MAPK1RPS6KA2HSD17B10BCHECES1 | |
| SCHEMBL9432418 | 0.87 | MAPK1 (0.54) | MAPK1RPS6KA2HSD17B10BCHECES1 | |
| SCHEMBL9848765 | 0.81 | MAPK1 (0.51) | MAPK1RPS6KA2HSD17B10BCHECES1 | |
| SCHEMBL9431501 | 0.80 | MAPK1 (0.50) | MAPK1RPS6KA2HSD17B10BCHECES1 | |
| SCHEMBL9848749 | 0.78 | MAPK1 (0.60) | MAPK1RPS6KA2HSD17B10BCHECES1 | |
| SCHEMBL9846146 | 0.68 | LMNA (0.33) | RPS6KA2MEN1KMT2ADRD3ALDH1A1 | |
| SCHEMBL9846149 | 0.68 | LMNA (0.33) | RPS6KA2MEN1KMT2ADRD3ALDH1A1 | |
| SCHEMBL9304609 | 0.65 | RPS6KA2 (0.77) | MAPK1RPS6KA2HSD17B10BCHECES1 | |
| SCHEMBL30501207 | 0.64 | RPS6KA2 (0.59) | MAPK1RPS6KA2DRD3ALDH1A1MAPT | |
| SCHEMBL19818182 | 0.64 | RPS6KA2 (0.59) | MAPK1RPS6KA2DRD3ALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0462808-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | claimed |
| EP-0462808-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |