Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9559282 | 0.77 | ERN1 (0.44) | ALDH1A1GAAKDM4ETSHRTDP1 | |
| SCHEMBL29957378 | 0.77 | ERN1 (0.44) | ALDH1A1GAAKDM4ETSHRTDP1 | |
| SCHEMBL19330147 | 0.77 | ERN1 (0.46) | ALDH1A1GAAKDM4ETSHRTDP1 | |
| SCHEMBL31029519 | 0.75 | TRIM24 (0.44) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL5784164 | 0.75 | ERN1 (0.46) | ALDH1A1GAAKDM4ETSHRTDP1 | |
| SCHEMBL583008 | 0.75 | PARP1 (0.33) | ALDH1A1GAAKDM4ELMNAMAPT | |
| SCHEMBL19330137 | 0.75 | TRIM24 (0.44) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL671095 | 0.75 | ERN1 (0.46) | ALDH1A1GAAKDM4ETSHRTDP1 | |
| SCHEMBL2851220 | 0.75 | CYP1A2 (0.39) | ALDH1A1GAAKDM4ELMNAMAPT | |
| SCHEMBL29951175 | 0.75 | ERN1 (0.46) | ALDH1A1GAAKDM4ETSHRTDP1 |
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-0481802-A1 | Hydroxylated inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |
| EP-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |