Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 5/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MPI | P34949 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30705516 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL9267418 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL12090841 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL9846214 | 0.76 | ERN1 (0.35) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL9846251 | 0.76 | GRM1 (0.37) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL15339519 | 0.74 | RECQL (0.38) | ALDH1A1CYP1A2CYP2C19GAAMEN1 | |
| SCHEMBL9828231 | 0.74 | ALDH1A1 (0.55) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL20113952 | 0.74 | CYP1A2 (0.39) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL23961392 | 0.73 | ERN1 (0.40) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL19330163 | 0.73 | ERN1 (0.46) | ALDH1A1TSHRKDM4ETDP1ERN1 |
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 |