Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3021766 | 0.74 | MEN1 (0.57) | OPRM1OPRL1CXCR3MEN1CYP2C9 | |
| SCHEMBL15037442 | 0.71 | OPRM1 (0.45) | OPRM1OPRL1CXCR3MEN1CYP2C9 | |
| SCHEMBL3017563 | 0.71 | OPRM1 (0.42) | OPRM1OPRL1CXCR3MEN1CYP2C9 | |
| SCHEMBL17999661 | 0.71 | CTSD (0.42) | HDAC3HDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL25460864 | 0.70 | OPRL1 (0.43) | OPRM1OPRL1CXCR3HDAC4ALDH1A1 | |
| SCHEMBL3709972 | 0.68 | MAOB (0.55) | OPRM1OPRL1CXCR3MEN1CYP2C9 | |
| SCHEMBL25464595 | 0.67 | ALDH1A1 (0.46) | OPRM1OPRL1CXCR3MEN1KMT2A | |
| SCHEMBL3028296 | 0.67 | OPRM1 (0.38) | OPRM1OPRL1CXCR3MEN1CYP2C9 | |
| SCHEMBL9295604 | 0.65 | DDB1 (0.35) | OPRM1OPRL1CXCR3CYP2C9ALDH1A1 | |
| SCHEMBL27783852 | 0.65 | MEN1 (0.53) | MEN1CYP2C9KMT2AHDAC4ALDH1A1 |
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-2391603-B1 | AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2014-01-08 | — | — | EP | disclosed |
| WO-2010086251-A1 | AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-05 | — | — | WO | disclosed |