Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27291234 | 0.84 | CA12 (0.39) | CA12CA1CA2CA9MMP1 | |
| SCHEMBL18914717 | 0.82 | CA12 (0.44) | CA12CA1CA2CA9MMP1 | |
| SCHEMBL13868576 | 0.82 | CA12 (0.34) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL24478767 | 0.75 | — | — | |
| SCHEMBL25976711 | 0.75 | CYP3A4 (0.35) | TSHRCYP2C9CYP3A4 | |
| SCHEMBL25937948 | 0.75 | MMP1 (0.41) | CA12CA1CA2CA9MMP1 | |
| SCHEMBL25957331 | 0.75 | MMP1 (0.41) | CA12CA1CA2CA9MMP1 | |
| SCHEMBL13076418 | 0.74 | — | — | |
| SCHEMBL18995649 | 0.74 | — | — | |
| SCHEMBL18938460 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3105217-B1 | ISOQUINOLINE DERIVATIVES AND USE THEREOF | PURDUE PHARMA LP (US) | 2019-05-29 | — | — | EP | disclosed |