Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP7 | P09237 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL630153 | 0.96 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL16653786 | 0.92 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL16655140 | 0.91 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL29333219 | 0.91 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL30994844 | 0.91 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL206638 | 0.90 | SMN1; SMN2 (0.73) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL12501669 | 0.86 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL376726 | 0.86 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL12553776 | 0.86 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL12501752 | 0.86 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 |
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-1603901-A1 | TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004078750-A1 | TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2004-09-16 | — | — | WO | disclosed |