Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | PTPRC | P08575 | 5/20 | 0.39 |
| ▸ | S100A4 | P26447 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | STAT6 | P42226 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4910366 | 0.97 | PTPRC (0.41) | CYP3A4PTPRCS100A4CES1BCHE | |
| SCHEMBL8895903 | 0.79 | PTPRC (0.33) | CYP3A4PTPRCS100A4CES1BCHE | |
| SCHEMBL6412225 | 0.78 | CDC25B (0.46) | CYP3A4PTPRCS100A4CES1BCHE | |
| SCHEMBL7898478 | 0.75 | ALDH1A1 (0.39) | CYP3A4PTPRCS100A4CES1BCHE | |
| SCHEMBL9405259 | 0.75 | CES1 (0.47) | CYP3A4PTPRCS100A4CES1BCHE | |
| SCHEMBL10942136 | 0.75 | ALDH1A1 (0.36) | CYP3A4PTPRCS100A4CES1BCHE | |
| SCHEMBL7945702 | 0.75 | ALDH1A1 (0.39) | CYP3A4PTPRCS100A4CES1BCHE | |
| SCHEMBL4190455 | 0.72 | S100A4 (0.49) | PTPRCS100A4CES1BCHEACHE | |
| SCHEMBL11424815 | 0.71 | MAOB (0.38) | PTPRCCES1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL2059539 | 0.70 | ALDH1A1 (0.38) | CYP3A4PTPRCS100A4CES1BCHE |
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 |
|---|---|---|---|---|---|---|---|
| US-5594158-A | Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin | THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 1997-01-14 | — | — | US | claimed |
| EP-0523289-A1 | Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin | Board of Regents of the University of Nebraska (US) | 1993-01-20 | — | — | EP | claimed |