Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 5/20 | 0.43 |
| ▸ | PRKDC | P78527 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 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 | |
|---|---|---|---|---|
| SCHEMBL20135982 | 0.86 | ALDH1A1 (0.63) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL4071797 | 0.85 | ALDH1A1 (0.67) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL8076637 | 0.82 | ALDH1A1 (0.68) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL668963 | 0.81 | ALDH1A1 (0.67) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL29818672 | 0.80 | ALDH1A1 (0.65) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL1039129 | 0.80 | ALDH1A1 (0.72) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL13067431 | 0.80 | TAAR1 (0.50) | ALDH1A1KDM4EL3MBTL1MAPTGAA | |
| SCHEMBL16154029 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL12466982 | 0.78 | MAPT (0.53) | ALDH1A1KDM4ETSHRLMNAMAPT | |
| SCHEMBL14036539 | 0.78 | GRIA1 (0.44) | ALDH1A1KDM4ETSHRTDP1LMNA |
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-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |