Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TXNRD1 | Q16881 | 4/20 | 0.37 |
| ▸ | TXNRD3 | Q86VQ6 | 4/20 | 0.37 |
| ▸ | TXNRD2 | Q9NNW7 | 4/20 | 0.37 |
| ▸ | ERN1 | O75460 | 3/20 | 0.37 |
| ▸ | PRKDC | P78527 | 2/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.34 |
| ▸ | ABAT | P80404 | 1/20 | 0.34 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362701 | 0.79 | HMGCR (0.41) | ALDH1A1TXNRD1TXNRD3TXNRD2MAPT | |
| SCHEMBL17408855 | 0.77 | BCHE (0.37) | ALDH1A1KDM4ETSHRMAPTBCHE | |
| SCHEMBL9846198 | 0.74 | MAPT (0.46) | ALDH1A1KDM4EMAPTL3MBTL1ACHE | |
| SCHEMBL20113952 | 0.74 | CYP1A2 (0.39) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL9846087 | 0.71 | ALDH1A1 (0.42) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL9681854 | 0.69 | ALDH1A1 (0.39) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL30705516 | 0.69 | ALDH1A1 (0.39) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL9682798 | 0.69 | TLR8 (0.57) | ALDH1A1KDM4EHPGDMAPTACHE | |
| SCHEMBL31353452 | 0.67 | PRKDC (0.39) | ALDH1A1KDM4EERN1PRKDCHPGD | |
| SCHEMBL9680324 | 0.67 | NPC1 (0.51) | ALDH1A1KDM4ETSHRTDP1MAPT |
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 |