Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.32 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 2/20 | 0.30 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.30 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1250655 | 0.75 | TSHR (0.50) | CYP2D6CYP2C9HSD17B10PTPN1ESR1 | |
| SCHEMBL8433981 | 0.70 | TRPA1 (0.46) | CYP2C9HSD17B10PTPN1ESR1HSPA5 | |
| SCHEMBL10149209 | 0.69 | PTGS1 (0.43) | HSD17B10PTPN1ESR1HSPA5ALDH1A1 | |
| SCHEMBL12766044 | 0.68 | PTGS2 (0.60) | HSD17B10PTPN1KDM4EALDH1A1POLB | |
| SCHEMBL11509151 | 0.67 | ERN1 (0.37) | HSD17B10PTPN1ESR1HSPA5ALDH1A1 | |
| SCHEMBL10166473 | 0.67 | IGF1R (0.47) | HSD17B10KDM4EALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL8954506 | 0.65 | TSHR (0.55) | CYP2D6CYP2C9HSD17B10PTPN1ESR1 | |
| Diethanolamine SCHEMBL11504472 | 0.63 | GSR (0.41) | CYP2D6CYP2C9HSD17B10PTPN1ESR1 | |
| SCHEMBL7756384 | 0.63 | PTPN1 (0.53) | CYP2C9GFERPTPN1MAOAESR1 | |
| SCHEMBL5883309 | 0.63 | ERN1 (0.58) | PTPN1ESR1 |
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-2008124838-A1 | COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2008-10-16 | — | — | WO | disclosed |