Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13318365 | 0.81 | ELANE (0.30) | — | |
| SCHEMBL11100498 | 0.69 | GRIA1 (0.41) | ALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| SCHEMBL6095288 | 0.68 | CYP3A4 (0.52) | ALDH1A1MAPTCYP3A4TSHRHSD17B10 | |
| SCHEMBL959780 | 0.68 | ACHE (0.30) | — | |
| SCHEMBL15088459 | 0.68 | ACHE (0.30) | — | |
| SCHEMBL172527 | 0.68 | NPC1 (0.37) | CYP3A4TSHRHSD17B10 | |
| SCHEMBL10216233 | 0.64 | HPGD (0.38) | — | |
| SCHEMBL22308307 | 0.60 | HPGD (0.35) | — | |
| SCHEMBL21451244 | 0.59 | — | — | |
| SCHEMBL2406021 | 0.57 | ACHE (0.53) | ALDH1A1MAPTCYP3A4 |
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 |