Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL27894501 | 0.80 | CA4 (0.38) | ALDH1A1CA1CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL31124997 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL4528375 | 0.80 | CA4 (0.38) | ALDH1A1CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL204190 | 0.80 | CA4 (0.38) | ALDH1A1CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL28208286 | 0.79 | CA1 (0.42) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL39465 | 0.76 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1F2PRSS1PRSS2 | |
| Trifluoromethanesulfonic Acid SCHEMBL3507077 | 0.76 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3950101 | 0.76 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL295 | 0.76 | — | — | |
| Trifluoroacetic Acid SCHEMBL28539960 | 0.76 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107698445-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698436-A | Method for preparing aromatic polycarboxylic acid derivative | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698437-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698438-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |