Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 SCHEMBL26086337 | 0.90 | ALDH1A1 (0.41) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL26087624 | 0.89 | MEN1 (0.41) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30216947 | 0.85 | SMN1; SMN2 (0.44) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL30219807 | 0.83 | MEN1 (0.45) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30216955 | 0.82 | L3MBTL1 (0.40) | MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL26087619 | 0.80 | MEN1 (0.39) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30216950 | 0.77 | ACHE (0.34) | MEN1KMT2AALDH1A1CYP3A4MAPT | |
| Trifluoroacetic Acid SCHEMBL23326584 | 0.75 | CYP1A2 (0.39) | ALDH1A1POLBTDP1CYP3A4KDM4E | |
| Trifluoroacetic Acid SCHEMBL30320103 | 0.75 | L3MBTL1 (0.37) | ALDH1A1TDP1CYP3A4CTSDKDM4E | |
| SCHEMBL26087979 | 0.75 | NPSR1 (0.56) | MEN1KMT2AALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4153565-A1 | BENZYLPYRIDINIUM REAGENT FOR MASS SPECTROMETRY | F. Hoffmann-La Roche AG (CH) | 2023-03-29 | — | — | EP | disclosed |
| CN-115667220-A | Benzyl pyridinium reagent for mass spectrum | 豪夫迈·罗氏有限公司 | 2023-01-31 | — | — | CN | disclosed |