Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRAS | P01112 | 14/20 | 0.43 |
| ▸ | ESR1 | P03372 | 13/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.43 |
| ▸ | TOP1 | P11387 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7534761 | 0.99 | KDM4E (0.43) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL7532924 | 0.94 | HRAS (0.44) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL7540448 | 0.92 | WDR5 (0.36) | KDM4EPOLBMAPTHIF1AWDR5 | |
| Hydrochloric Acid SCHEMBL7541448 | 0.84 | KDM4E (0.38) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL7541075 | 0.84 | KDM4E (0.38) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL7535292 | 0.79 | HRAS (0.38) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL7538928 | 0.77 | AR (0.37) | KDM4EMAPTWDR5 | |
| SCHEMBL4757631 | 0.76 | HRAS (0.55) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL19493847 | 0.76 | HRAS (0.55) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL7542296 | 0.76 | ITGB3 (0.36) | — |
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-1242374-A1 | ACRYLOYL PEPTIDIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS | Pharmacia Italia S.p.A. (IT) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001040181-A1 | ACRYLOYL PEPTIDIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA ITALIA S.P.A. (IT) | 2001-06-07 | — | — | WO | disclosed |