Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.61 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5596086 | 0.82 | CA2 (0.55) | CA2GABRA1GABRB2NPSR1TDP1 | |
| SCHEMBL6275546 | 0.82 | CA2 (0.55) | CA2GABRA1GABRB2NPSR1TDP1 | |
| SCHEMBL10567591 | 0.81 | CA2 (0.48) | CA2TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL10567856 | 0.81 | CA2 (0.48) | CA2TDP1ESR1ESR2ALDH1A1 | |
| Benzene SCHEMBL3767076 | 0.80 | CA2 (0.94) | CA2GABRA1GABRB2NPSR1TDP1 | |
| SCHEMBL38598 | 0.78 | CA2 (1.00) | CA2GABRA1GABRB2NPSR1TDP1 | |
| Phenol SCHEMBL7888105 | 0.77 | CA2 (0.77) | CA2GABRA1GABRB2NPSR1TDP1 | |
| Hydrochloric Acid SCHEMBL7076174 | 0.76 | CA2 (0.94) | CA2GABRA1GABRB2NPSR1TDP1 | |
| SCHEMBL31622310 | 0.76 | CA2 (0.94) | CA2GABRA1GABRB2NPSR1TDP1 | |
| SCHEMBL22444875 | 0.76 | CA2 (0.94) | CA2GABRA1GABRB2NPSR1TDP1 |
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 |