Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 3/20 | 0.51 |
| ▸ | MMP9 | P14780 | 3/20 | 0.51 |
| ▸ | MMP8 | P22894 | 3/20 | 0.51 |
| ▸ | MMP13 | P45452 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | F12 | P00748 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PTGFR | P43088 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | COMT | P21964 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29086858 | 1.00 | EGLN1 (0.51) | EGLN1MMP2MMP9MMP8MMP13 | |
| SCHEMBL29086790 | 0.91 | MEN1 (0.52) | EGLN1MMP2MMP9MMP8MMP13 | |
| SCHEMBL30642968 | 0.91 | MEN1 (0.52) | EGLN1MMP2MMP9MMP8MMP13 | |
| SCHEMBL29086759 | 0.84 | TP53 (0.60) | MMP2MMP9MMP8MMP13NPC1 | |
| SCHEMBL30912944 | 0.84 | MTOR (0.49) | NPC1RAB9ASMN1; SMN2LMNADGAT1 | |
| SCHEMBL30912925 | 0.84 | SMN1; SMN2 (0.50) | NPC1RAB9ASMN1; SMN2LMNADGAT1 | |
| SCHEMBL30912931 | 0.84 | TP53 (0.60) | MMP2MMP9MMP8MMP13NPC1 | |
| SCHEMBL29086673 | 0.84 | MTOR (0.49) | NPC1RAB9ASMN1; SMN2LMNADGAT1 | |
| SCHEMBL4437426 | 0.83 | MMP2 (0.58) | MMP2MMP9MMP8MMP13NPC1 | |
| SCHEMBL29086780 | 0.83 | KMT2A (0.58) | EGLN1MMP2MMP9MMP8MMP13 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024109642-A1 | USE OF BENZOAZACYCLIC COMPOUND AS ALLOSTERIC MODULATOR OF β2-ADRENOCEPTOR | 常州大学 | 2024-05-30 | — | — | WO | disclosed |