Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 9/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | ICMT | O60725 | 7/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7544964 | 0.77 | MTNR1A (0.38) | SIRT1SIRT2MTNR1AMTNR1BRAD52 | |
| Trifluoroacetic Acid SCHEMBL7398935 | 0.71 | LTA4H (0.47) | MTNR1AMTNR1BTRPM8 | |
| Trifluoroacetic Acid SCHEMBL7307478 | 0.71 | ICMT (0.52) | ICMT | |
| Hydrochloric Acid SCHEMBL7396388 | 0.70 | ALOX5 (0.44) | SIRT1SIRT2ICMT | |
| Hydrochloric Acid SCHEMBL7403059 | 0.70 | CA1 (0.39) | MTNR1AMTNR1BRAD52BLMNPSR1 | |
| SCHEMBL10965773 | 0.67 | KDM4E (0.52) | SIRT1SIRT2MTNR1AMTNR1B | |
| Trifluoroacetic Acid SCHEMBL30355103 | 0.64 | MAPK1 (0.51) | NPSR1 | |
| SCHEMBL13962339 | 0.64 | ALDH1A1 (0.54) | SIRT1SIRT2MTNR1AMTNR1B | |
| SCHEMBL29175270 | 0.64 | ESR1 (0.50) | — | |
| SCHEMBL30808081 | 0.64 | ESR1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001034146-A1 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | claimed |
| WO-2001034146-A1 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | disclosed |