Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20149746 | 0.84 | CYP19A1 (0.41) | TDP1LMNACYP19A1KMT2APKM | |
| SCHEMBL19788304 | 0.80 | CYP4F2 (0.33) | KMT2AMEN1GAA | |
| SCHEMBL16646765 | 0.77 | CYP19A1 (0.35) | TDP1CYP19A1MAPK1HSD17B10CA12 | |
| SCHEMBL18882651 | 0.76 | CYP19A1 (0.31) | CYP19A1KMT2APKMKDM4EALDH1A1 | |
| SCHEMBL21872791 | 0.75 | — | — | |
| SCHEMBL17264065 | 0.74 | ALDH1A1 (0.37) | TDP1ALDH1A1CA12CA1CA2 | |
| SCHEMBL22855964 | 0.73 | PRKCA (0.33) | GAA | |
| SCHEMBL19147849 | 0.73 | ALDH1A1 (0.38) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL13257754 | 0.73 | THRB (0.38) | KMT2AMEN1ALDH1A1MAPK1THRA | |
| SCHEMBL25923648 | 0.72 | CYP4F2 (0.33) | TDP1GAATHRATHRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012039855-A1 | PH-SENSITIVE COMPOSITIONS FOR DELIVERY OF BETA LAPACHONE AND METHODS OF USE | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-03-29 | — | — | WO | disclosed |