Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.59 |
| ▸ | CNR2 | P34972 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | DRD5 | P21918 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.49 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.49 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.49 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL370543 | 0.83 | CNR1 (0.59) | CNR1CNR2MAOBDRD1DRD4 | |
| Hydrochloric Acid SCHEMBL5497258 | 0.82 | CNR1 (0.58) | CNR1CNR2MAOBDRD1DRD4 | |
| Hydrochloric Acid SCHEMBL6247218 | 0.82 | CNR1 (0.58) | CNR1CNR2MAOBDRD1DRD4 | |
| SCHEMBL2788546 | 0.81 | CNR1 (0.57) | CNR1CNR2MAOBDRD1DRD4 | |
| SCHEMBL14705757 | 0.80 | CNR1 (0.56) | CNR1CNR2MAOBDRD1DRD4 | |
| SCHEMBL1600013 | 0.80 | CNR1 (0.58) | CNR1CNR2MAOBDRD1DRD4 | |
| SCHEMBL1599356 | 0.80 | CNR1 (0.68) | CNR1CNR2MAOBDRD1DRD4 | |
| SCHEMBL12705421 | 0.79 | CNR1 (0.57) | CNR1CNR2MAOBDRD1DRD4 | |
| SCHEMBL6260918 | 0.79 | CNR1 (0.64) | CNR1CNR2MAOBPOLBKDM4E | |
| SCHEMBL2788543 | 0.78 | CNR1 (0.72) | CNR1CNR2MAOBPOLBKDM4E |
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-2006010082-A1 | 1,4-DISUBSTITUTED NAPHTALENES AS INHIBITORS OF P38 MAP KINASE | ARQULE, INC. (US) | 2006-01-26 | — | — | WO | disclosed |