Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4777612 | 1.00 | ALDH1A1 (0.37) | ALDH1A1HPGDALOX15HTTHSD17B10 | |
| SCHEMBL28468856 | 0.74 | — | — | |
| SCHEMBL7604762 | 0.74 | — | — | |
| SCHEMBL30658087 | 0.69 | — | — | |
| SCHEMBL22552035 | 0.69 | HPGD (0.44) | ALDH1A1HPGDHTTHSD17B10KDM4E | |
| SCHEMBL22552036 | 0.69 | HPGD (0.44) | ALDH1A1HPGDHTTHSD17B10KDM4E | |
| SCHEMBL31527947 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL29417477 | 0.64 | — | — | |
| SCHEMBL3260265 | 0.64 | ALDH1A1 (0.47) | ALDH1A1HPGDALOX15HTTHSD17B10 | |
| SCHEMBL5241647 | 0.64 | ALDH1A1 (0.47) | ALDH1A1HPGDALOX15HTTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008002959-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-03 | — | — | WO | disclosed |