Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | KIF5B | P33176 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5380375 | 0.87 | TPMT (0.42) | ALDH1A1CNR2ATMTPMTTDP1 | |
| SCHEMBL13892529 | 0.75 | HCAR1 (0.50) | HCAR1ALDH1A1CA12CA1CA2 | |
| SCHEMBL31208002 | 0.75 | CA12 (0.76) | HCAR1ALDH1A1CA12CA1CA2 | |
| SCHEMBL2259905 | 0.75 | CA12 (0.76) | HCAR1ALDH1A1CA12CA1CA2 | |
| Orcinol SCHEMBL998779 | 0.71 | ALDH1A1 (0.71) | HCAR1ALDH1A1CA12CA1CA2 | |
| SCHEMBL27481953 | 0.71 | HDAC8 (0.50) | ALDH1A1ACHEMAPT | |
| SCHEMBL8920001 | 0.69 | HCAR1 (0.48) | HCAR1ALDH1A1ACHEATMTDP1 | |
| SCHEMBL31211908 | 0.69 | ATM (0.61) | ALDH1A1ATMTDP1 | |
| SCHEMBL10370027 | 0.69 | HCAR1 (0.71) | HCAR1ALDH1A1CA12CA1CA2 | |
| SCHEMBL9436697 | 0.69 | TDP1 (0.54) | ALDH1A1ACHETDP1MAPTGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5446189-A | Diester intermediates for diacid enzyme inhibitor | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |
| US-5324747-A | Treatment of inflammatory diseases | HOFFMANN-LA ROCHE INC. (US) | 1994-06-28 | — | — | US | disclosed |
| EP-0579066-A2 | N-substituted anilines | F. HOFFMANN-LA ROCHE AG (CH) | 1994-01-19 | — | — | EP | disclosed |