Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | PHGDH | O43175 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14417832 | 0.88 | NPC1 (0.81) | NPC1ALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL21946259 | 0.85 | NPC1 (0.76) | NPC1ALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL14274126 | 0.84 | NPC1 (0.59) | NPC1ALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL10274470 | 0.83 | NPC1 (0.74) | NPC1ALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL2606048 | 0.83 | ALDH1A1 (0.67) | NPC1ALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL12385904 | 0.82 | NPC1 (0.67) | NPC1ALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL25930862 | 0.82 | NPC1 (0.71) | NPC1ALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL15224251 | 0.82 | NPC1 (0.71) | NPC1ALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL19703773 | 0.81 | NPC1 (0.65) | NPC1ALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL6417845 | 0.81 | ALDH1A1 (0.64) | NPC1ALDH1A1HPGDRAB9ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7268150-B2 | 2-cyano-4-fluoropyrrolidine derivative or its salt | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2007-09-11 | — | — | US | disclosed |
| US-7268150-B2 | 2-cyano-4-fluoropyrrolidine derivative or its salt | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2007-09-11 | — | — | US | disclosed |