Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SCARB1 | Q8WTV0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13843836 | 0.87 | CYP2D6 (0.50) | SIGMAR1CYP2D6CYP3A4PKMSYK | |
| SCHEMBL13843680 | 0.84 | SIGMAR1 (0.42) | SIGMAR1CYP2D6CYP3A4PKMSYK | |
| SCHEMBL14999487 | 0.77 | PTGS2 (0.39) | CYP2D6L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL10104440 | 0.75 | CYP2A13 (0.47) | CYP2D6CYP3A4PKMSYKSMN1; SMN2 | |
| SCHEMBL5124007 | 0.73 | SMN1; SMN2 (0.40) | SIGMAR1CYP2D6CYP3A4L3MBTL1SMN1; SMN2 | |
| SCHEMBL13130492 | 0.71 | MAPT (0.45) | SMN1; SMN2MEN1KMT2ANPSR1TSHR | |
| SCHEMBL5124004 | 0.71 | HCRTR1 (0.42) | MAPK14ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL12781734 | 0.70 | CYP2D6 (0.67) | SIGMAR1CYP2D6CYP3A4SYKL3MBTL1 | |
| SCHEMBL14999406 | 0.70 | PTGS2 (0.33) | L3MBTL1SMN1; SMN2 | |
| SCHEMBL12781742 | 0.69 | CYP2D6 (0.62) | SIGMAR1CYP2D6CYP3A4SYKALDH1A1 |
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-1692116-B1 | 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION | BOEHRINGER INGELHEIM PHARMA (US) | 2011-03-09 | — | — | EP | disclosed |