Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 2/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GPR88 | Q9GZN0 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5196291 | 0.86 | GLS (0.53) | GLSCRHBPCRHR2ALDH1A1HPGD | |
| Ethane SCHEMBL27961526 | 0.80 | CTSK (0.55) | CRHBPCRHR2ALDH1A1LMNACTSS | |
| SCHEMBL2049579 | 0.74 | ALDH1A1 (0.66) | CRHBPCRHR2ALDH1A1LMNAKMT2A | |
| SCHEMBL2721958 | 0.74 | LMNA (0.50) | GLSCRHBPCRHR2ALDH1A1GPR88 | |
| SCHEMBL9055208 | 0.73 | ROCK2 (0.50) | GLSCRHBPCRHR2ALDH1A1LMNA | |
| SCHEMBL7504901 | 0.73 | LMNA (0.49) | CRHBPCRHR2ALDH1A1LMNA | |
| SCHEMBL19256857 | 0.73 | ROCK2 (0.50) | GLSCRHBPCRHR2ALDH1A1LMNA | |
| SCHEMBL819828 | 0.73 | KMT2A (0.58) | GLSALDH1A1HPGDLMNATSHR | |
| SCHEMBL2016945 | 0.72 | CYP2C19 (0.52) | GLSALDH1A1HPGDLMNATSHR | |
| SCHEMBL19932307 | 0.72 | CRHBP (0.47) | CRHBPCRHR2ALDH1A1LMNAMMP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682494-A4 | ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO INC (US) | 2006-11-08 | — | — | EP | disclosed |
| EP-1682494-A1 | ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005044785-A1 | ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2005-05-19 | — | — | WO | disclosed |