Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.57 |
| ▸ | CA2 | P00918 | 9/20 | 0.57 |
| ▸ | CA9 | Q16790 | 8/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10691783 | 0.90 | POLB (0.49) | CA1CA2CA9CA12CA3 | |
| SCHEMBL10694269 | 0.86 | CA1 (0.53) | CA1CA2CA9CA12CA3 | |
| SCHEMBL11690010 | 0.83 | CA1 (0.50) | CA1CA2CA9CA12CA3 | |
| SCHEMBL11133566 | 0.82 | ALDH1A1 (0.60) | CA1CA2CA9CA12CA3 | |
| SCHEMBL11140253 | 0.80 | MAPK1 (0.57) | CA1CA2CA9CA3KMT2A | |
| SCHEMBL1369061 | 0.77 | CA12 (0.54) | CA1CA2CA9CA12KMT2A | |
| SCHEMBL11682482 | 0.76 | CA1 (0.59) | CA1CA2CA9CA12CA3 | |
| SCHEMBL11420501 | 0.75 | ALDH1A1 (0.43) | CA1CA2CA9CA12CA3 | |
| SCHEMBL10696321 | 0.74 | CA2 (0.61) | CA1CA2CA9CA12CA3 | |
| SCHEMBL11136558 | 0.73 | CA1 (0.40) | CA1CA2CA9CA3KMT2A |
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 |