Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.33 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.33 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7517482 | 0.85 | MAOA (0.40) | HTR1AMAOACTSSHTR2AHTR7 | |
| SCHEMBL7512989 | 0.79 | F2 (0.41) | KDM4EALDH1A1DRD2DRD4OPRM1 | |
| SCHEMBL7824786 | 0.78 | DRD2 (0.37) | HTR1ATP53KDM4EALDH1A1ALOX15 | |
| SCHEMBL7827664 | 0.77 | ROCK2 (0.38) | MAOAKDM4EDRD2 | |
| SCHEMBL7827942 | 0.77 | DRD2 (0.45) | TP53MAPK1KDM4EALDH1A1ALOX15 | |
| SCHEMBL7510363 | 0.76 | CNR1 (0.41) | CTSS | |
| SCHEMBL7516949 | 0.76 | NPC1 (0.41) | HTR1AMAPK1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL7818532 | 0.76 | L3MBTL3 (0.38) | KDM4EDRD2DRD1POLB | |
| SCHEMBL7521473 | 0.75 | CNR1 (0.41) | — | |
| SCHEMBL7506683 | 0.75 | F2 (0.42) | KDM4EALDH1A1DRD2DRD4OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0861250-B1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2002-02-13 | — | — | EP | claimed |