Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRAS | P01112 | 14/20 | 0.48 |
| ▸ | ESR1 | P03372 | 13/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.48 |
| ▸ | TOP1 | P11387 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6501295 | 0.95 | HRAS (0.48) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL6781599 | 0.95 | HRAS (0.48) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL6784965 | 0.91 | HRAS (0.43) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL7127024 | 0.91 | HRAS (0.56) | HRASESR1ESR2TOP1KDM4E | |
| Brostallicin SCHEMBL3678233 | 0.91 | HRAS (0.56) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL6776573 | 0.90 | HDAC1 (0.49) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL5445158 | 0.90 | KDM4E (0.57) | HRASESR1ESR2TOP1KDM4E | |
| Brostallicin SCHEMBL2230670 | 0.90 | KDM4E (0.57) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL7504035 | 0.87 | HRAS (0.60) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL3678651 | 0.87 | HRAS (0.60) | HRASESR1ESR2TOP1KDM4E |
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-6753316-B1 | 3-ACRYLAMIDOPYRAZOLE-5-CARBOXAMIDE DERIVATIVES | PHARMACIA & UPJOHN S.P.A. (IT) | 2004-06-22 | — | — | US | disclosed |