Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1760587 | 0.86 | L3MBTL1 (0.39) | L3MBTL1OPRK1NPSR1KDM4EMEN1 | |
| SCHEMBL17859394 | 0.81 | HCRTR1 (0.44) | L3MBTL1HCRTR1HCRTR2CYP1A2CYP2C9 | |
| SCHEMBL26394011 | 0.81 | L3MBTL1 (0.39) | L3MBTL1OPRK1NPSR1KDM4E | |
| SCHEMBL28145053 | 0.77 | SIRT2 (0.43) | HCRTR1HCRTR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9493845 | 0.77 | ADRA2A (0.43) | NPSR1KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL19566074 | 0.77 | HCRTR1 (0.47) | L3MBTL1HCRTR1HCRTR2CYP1A2CYP2C9 | |
| SCHEMBL19564491 | 0.77 | HCRTR1 (0.42) | L3MBTL1HCRTR1HCRTR2CYP1A2CYP2C9 | |
| SCHEMBL30397636 | 0.76 | L3MBTL1 (0.62) | L3MBTL1OPRK1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL38658667 | 0.76 | L3MBTL1 (0.62) | L3MBTL1OPRK1CYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9493835 | 0.76 | ADRA2A (0.42) | L3MBTL1NPSR1KDM4EMEN1KMT2A |
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-1976527-A4 | FUSED TRIAZOLE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-04-22 | — | — | EP | disclosed |
| EP-1976527-A2 | FUSED TRIAZOLE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007081897-A2 | FUSED TRIAZOLE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-07-19 | — | — | WO | disclosed |