Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL295 | 0.80 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL39465 | 0.80 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL3507077 | 0.80 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3950101 | 0.80 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25292879 | 0.77 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25293989 | 0.77 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6983856 | 0.77 | CA5A (0.50) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL25293988 | 0.77 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL337988 | 0.77 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL23094034 | 0.77 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1CA1CA2CA7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1090001-A4 | (HETEROCYCLIC)METHYL SUBSTITUTED CARBAPENEM ANTIBACTERIALS | MERCK & CO INC (US) | 2002-11-27 | — | — | EP | disclosed |
| EP-1090000-A4 | NAPHTHO 1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS | MERCK & CO INC (US) | 2002-11-27 | — | — | EP | disclosed |
| EP-1090001-A1 | (HETEROCYCLIC)METHYL SUBSTITUTED CARBAPENEM ANTIBACTERIALS | Merck & Co., Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-1090000-A1 | NAPHTHO 1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS | Merck & Co., Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999067240-A1 | (HETEROCYCLIC)METHYL SUBSTITUTED CARBAPENEM ANTIBACTERIALS | MERCK & CO., INC. (US) | 1999-12-29 | — | — | WO | disclosed |
| WO-1999067242-A1 | NAPHTHO[1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS | MERCK & CO., INC. (US) | 1999-12-29 | — | — | WO | disclosed |