Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | DGKA | P23743 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14672499 | 0.89 | DGKA (0.48) | CYP19A1DGKATDP1TSHRCA12 | |
| SCHEMBL22608033 | 0.86 | DGKA (0.40) | CYP19A1DGKATDP1TSHRMAPT | |
| SCHEMBL249563 | 0.85 | DGKA (0.54) | CYP19A1DGKATDP1TSHRCA12 | |
| SCHEMBL249240 | 0.83 | DGKA (0.57) | CYP19A1DGKATDP1TSHRCA12 | |
| SCHEMBL494939 | 0.83 | DGKA (0.57) | CYP19A1DGKATDP1TSHRCA12 | |
| SCHEMBL494198 | 0.83 | DGKA (0.57) | CYP19A1DGKATDP1TSHRCA12 | |
| SCHEMBL494501 | 0.83 | DGKA (0.57) | CYP19A1DGKATDP1TSHRCA12 | |
| SCHEMBL494383 | 0.83 | DGKA (0.57) | CYP19A1DGKATDP1TSHRCA12 | |
| SCHEMBL247200 | 0.83 | DGKA (0.57) | CYP19A1DGKATDP1TSHRCA12 | |
| SCHEMBL4160276 | 0.83 | DGKA (0.47) | CYP19A1DGKATDP1TSHRCA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0174271-B1 | ANTHRACEME DERIVATIVES | CIBA-GEIGY AG (CH) | 1991-10-16 | — | — | EP | disclosed |
| EP-0174271-A2 | Anthraceme derivatives | CIBA-GEIGY AG (CH) | 1986-03-12 | — | — | EP | disclosed |