Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.72 |
| ▸ | CA2 | P00918 | 5/20 | 0.72 |
| ▸ | CA12 | O43570 | 4/20 | 0.72 |
| ▸ | CA9 | Q16790 | 4/20 | 0.72 |
| ▸ | KDM1A | O60341 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | ALB | P02768 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MMP1 | P03956 | 3/20 | 0.54 |
| ▸ | MMP2 | P08253 | 3/20 | 0.54 |
| ▸ | MMP9 | P14780 | 3/20 | 0.54 |
| ▸ | MMP8 | P22894 | 3/20 | 0.54 |
| ▸ | MMP13 | P45452 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL25003861 | 0.84 | CA12 (0.81) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL8415596 | 0.82 | CA12 (0.75) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL6801249 | 0.82 | ALDH1A1 (0.77) | CA1CA2KDM1AMAOAALDH1A1 | |
| SCHEMBL15306496 | 0.81 | CNR1 (0.77) | CA1CA2CA12CA9MAOA | |
| SCHEMBL5931104 | 0.80 | ALDH1A1 (0.79) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL8415594 | 0.80 | CA12 (0.70) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22291167 | 0.78 | CA12 (0.65) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL20822289 | 0.78 | CA1 (0.65) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL16387045 | 0.78 | CA12 (0.68) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL30225088 | 0.78 | PTGER4 (0.56) | CA1CA2CA12CA9KDM1A |
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-2023012820-A1 | A PROCESS FOR THE PREPARATION OF GRAPIPRANT AND ITS INTERMEDIATES | ZENFOLD SUSTAINABLE TECHNOLOGIES PRIVATE LIMITED (IN) | 2023-02-09 | — | — | WO | disclosed |