Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | G6PD | P11413 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL8976087 | 0.73 | ACHE (0.42) | ACHECA12CA1CA2CA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL8976067 | 0.70 | NSD2 (0.34) | HSP90AA1PGRNR1H3NPY5R | |
| Trifluoromethanesulfonic Acid SCHEMBL8975730 | 0.64 | BCHE (0.40) | ACHEKDM4EMEN1ALDH1A1MAPT | |
| Trifluoromethanesulfonic Acid SCHEMBL8975799 | 0.64 | BCHE (0.35) | ACHEKDM4EMEN1ALDH1A1MAPT | |
| Trifluoromethanesulfonic Acid SCHEMBL9622406 | 0.64 | ACHE (0.41) | ACHE | |
| SCHEMBL1921514 | 0.63 | MAPT (0.46) | ACHECA12CA1CA2CA9 | |
| SCHEMBL1923381 | 0.62 | GPR3 (0.64) | ACHEKDM4EMEN1ALDH1A1MAPT | |
| Trifluoromethanesulfonic Acid SCHEMBL29282708 | 0.61 | ACHE (0.37) | ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL30992108 | 0.61 | ACHE (0.37) | ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL23356620 | 0.61 | MAPT (0.56) | ACHEKDM4EALDH1A1MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5532261-A | TREATING STAPHYLOCOCCUS INFECTIONS | MERCK & CO., INC. (US) | 1996-07-02 | — | — | US | disclosed |