Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 8/20 | 0.59 |
| ▸ | CA1 | P00915 | 8/20 | 0.59 |
| ▸ | CA2 | P00918 | 8/20 | 0.59 |
| ▸ | CA9 | Q16790 | 8/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | PKM | P14618 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3704958 | 0.87 | CA12 (0.71) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL5741229 | 0.86 | ALDH1A1 (0.62) | CA12CA2CA9ALDH1A1PKM | |
| SCHEMBL19362573 | 0.86 | ALDH1A1 (0.62) | CA12CA2CA9ALDH1A1PKM | |
| SCHEMBL13251389 | 0.84 | ALDH1A1 (0.64) | CA12CA2CA9ALDH1A1PKM | |
| SCHEMBL8761233 | 0.83 | CA12 (0.75) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL27843904 | 0.83 | CA12 (0.75) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL27681903 | 0.83 | CA12 (0.75) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL27661888 | 0.83 | CA12 (0.75) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL1082403 | 0.81 | CA12 (0.77) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL29183294 | 0.81 | ALDH1A1 (0.79) | ALDH1A1PKMKMT2AMEN1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4329283-A | DISPERSE DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-11 | — | — | US | disclosed |