Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRAS | P01112 | 14/20 | 0.54 |
| ▸ | ESR1 | P03372 | 13/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.54 |
| ▸ | TOP1 | P11387 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 SCHEMBL6976271 | 0.99 | HRAS (0.54) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL6976357 | 0.89 | HRAS (0.67) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL6977455 | 0.89 | HRAS (0.67) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL6179071 | 0.88 | HRAS (0.67) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL6972477 | 0.88 | HRAS (0.67) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL3680040 | 0.85 | HRAS (0.70) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL3672404 | 0.85 | HRAS (0.70) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL3454493 | 0.84 | KDM4E (0.70) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL3455291 | 0.84 | KDM4E (0.70) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL6975622 | 0.83 | HRAS (0.52) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0937070-B1 | BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS | PHARMACIA ITALIA SPA (IT) | 2003-12-03 | — | — | EP | claimed |
| EP-0937070-B1 | BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS | PHARMACIA ITALIA SPA (IT) | 2003-12-03 | — | — | EP | disclosed |
| US-6153642-A | Benzoheterocyclic distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-28 | — | — | US | disclosed |