Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | ANPEP | P15144 | 1/20 | 0.47 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.44 |
| ▸ | ITGAV | P06756 | 2/20 | 0.44 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Aminomethylbenzoic Acid SCHEMBL9344424 | 0.88 | ALDH1A1 (0.60) | ALDH1A1SRD5A2HDAC6HDAC3NCOR2 | |
| Aminomethylbenzoic Acid SCHEMBL38758 | 0.88 | ALDH1A1 (0.60) | ALDH1A1SRD5A2HDAC6HDAC3NCOR2 | |
| Aminomethylbenzoic Acid SCHEMBL29271526 | 0.86 | ALDH1A1 (0.59) | ALDH1A1SRD5A2HDAC6HDAC3NCOR2 | |
| Aminomethylbenzoic Acid SCHEMBL28342619 | 0.86 | ALDH1A1 (0.58) | ALDH1A1SRD5A2HDAC6HDAC3NCOR2 | |
| Aminomethylbenzoic Acid SCHEMBL1567841 | 0.86 | ALDH1A1 (0.58) | ALDH1A1SRD5A2HDAC6HDAC3NCOR2 | |
| Aminomethylbenzoic Acid SCHEMBL7428232 | 0.86 | ALDH1A1 (0.58) | ALDH1A1SRD5A2HDAC6HDAC3NCOR2 | |
| Aminomethylbenzoic Acid SCHEMBL1206230 | 0.86 | ALDH1A1 (0.58) | ALDH1A1SRD5A2HDAC6HDAC3NCOR2 | |
| Trifluoroacetic Acid SCHEMBL1823273 | 0.85 | KMT2A (0.52) | HDAC6HDAC3NCOR2LOXL2ITGB3 | |
| Aminomethylbenzoic Acid SCHEMBL11755138 | 0.84 | ALDH1A1 (0.61) | ALDH1A1SRD5A2HDAC6HDAC3NCOR2 | |
| Terephthalic Acid SCHEMBL8370036 | 0.83 | TSHR (0.67) | ALDH1A1SRD5A2HDAC6TP53TSHR |
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-1073624-A1 | AMINOMETHYL-BENZOIC ESTER DERIVATIVES AS TRYPTASE INHIBITORS | Proteus Molecular Design Limited (GB) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999055661-A1 | AMINOMETHYL-BENZOIC ESTER DERIVATIVES AS TRYPTASE INHIBITORS | PROTEUS MOLECULAR DESIGN LIMITED (GB) | 1999-11-04 | — | — | WO | disclosed |