Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1491874 | 0.82 | NPSR1 (0.56) | NPSR1CA12CA9KDM4EHPGD | |
| SCHEMBL195068 | 0.80 | CA9 (0.52) | NPSR1CA12CA9KDM4EHPGD | |
| SCHEMBL8081387 | 0.80 | CA9 (0.52) | NPSR1CA12CA9KDM4EHPGD | |
| SCHEMBL9328080 | 0.78 | CA9 (0.50) | NPSR1CA12CA9KDM4EHPGD | |
| SCHEMBL5013978 | 0.76 | CA9 (0.48) | NPSR1CA12CA9KDM4EHPGD | |
| SCHEMBL6831560 | 0.76 | CA9 (0.48) | NPSR1CA12CA9KDM4EHPGD | |
| Methyl Phosphonate SCHEMBL9136984 | 0.76 | TSHR (0.67) | NPSR1CA12CA9HPGDNAPRT | |
| SCHEMBL730299 | 0.76 | CA9 (0.48) | NPSR1CA12CA9KDM4EHPGD | |
| SCHEMBL8633529 | 0.76 | NPSR1 (0.41) | NPSR1CA12CA9KDM4EHPGD | |
| SCHEMBL8631208 | 0.76 | NPSR1 (0.46) | NPSR1CA12CA9KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0850248-A1 | COMPOSITIONS AND METHODS FOR THE SYNTHESIS OF ORGANOPHOSPHORUS DERIVATIVES | POLSKA AKADEMIA NAUK CENTRUM BADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH (PL) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997009340-A1 | COMPOSITIONS AND METHODS FOR THE SYNTHESIS OF ORGANOPHOSPHORUS DERIVATIVES | POLSKA AKADEMIA NAUK CENTRUM BADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH (PL) | 1997-03-13 | — | — | WO | disclosed |