Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | FPR2 | P25090 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL813251 | 0.88 | CA12 (0.50) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL13395861 | 0.87 | CA12 (0.49) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL28774738 | 0.85 | TAS1R3 (0.51) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL13980908 | 0.85 | AURKA (0.49) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL24103353 | 0.84 | CA12 (0.47) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL16525557 | 0.84 | CA12 (0.47) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL5955118 | 0.84 | HPGD (0.61) | CA9KMT2AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28416132 | 0.83 | MMP9 (0.47) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL6855751 | 0.83 | CA12 (0.53) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL6855753 | 0.83 | CA12 (0.53) | CA12CA1CA2CA9KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-114672524-A | Method for catalyzing unnatural amino acid derivative by using bifunctional heme protein | 吉林大学 | 2022-06-28 | — | — | CN | disclosed |
| WO-2007062316-A2 | TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR ANTI-MANNICH REACTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2007-05-31 | — | — | WO | disclosed |