Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.50 |
| ▸ | CA2 | P00918 | 7/20 | 0.50 |
| ▸ | CA9 | Q16790 | 7/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11689459 | 0.83 | CA1 (0.57) | CA1CA2CA9CA3ALDH1A1 | |
| SCHEMBL10691783 | 0.80 | POLB (0.49) | CA1CA2CA9CA3ALDH1A1 | |
| SCHEMBL11762933 | 0.79 | ALDH1A1 (0.49) | CA1CA2CA9ALDH1A1PKM | |
| SCHEMBL10694269 | 0.79 | CA1 (0.53) | CA1CA2CA9CA3ALDH1A1 | |
| SCHEMBL11140253 | 0.76 | MAPK1 (0.57) | CA1CA2CA9CA3ALDH1A1 | |
| SCHEMBL24496279 | 0.76 | ALDH1A1 (0.56) | ALDH1A1PKMGAACYP2C19MEN1 | |
| SCHEMBL13585634 | 0.76 | ALDH1A1 (0.56) | ALDH1A1PKMGAACYP2C19MEN1 | |
| SCHEMBL29648426 | 0.76 | ALDH1A1 (0.56) | ALDH1A1PKMGAACYP2C19MEN1 | |
| SCHEMBL11133566 | 0.73 | ALDH1A1 (0.60) | CA1CA2CA9CA3ALDH1A1 | |
| SCHEMBL7621847 | 0.73 | ALDH1A1 (0.75) | CA1CA2CA9ALDH1A1PKM |
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-4026931-A | AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT | BAYER AKTIENGESELLSCHAFT (DT) | 1977-05-31 | — | — | US | disclosed |