Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SCD5 | Q86SK9 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4621179 | 0.93 | SCD5 (0.39) | NPC1MAPK1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL4640975 | 0.84 | CHRNB4 (0.49) | CHRNB4CHRNA3CYP11B2SLC18A3CCR5 | |
| SCHEMBL4639958 | 0.80 | CHRNB4 (0.45) | NPC1RAB9AALDH1A1CHRNB4CHRNA3 | |
| SCHEMBL4643609 | 0.78 | NPC1 (0.34) | NPC1MAPK1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL4640229 | 0.77 | CHRNB4 (0.42) | TP53CHRNB4CHRNA3S1PR1SLC18A3 | |
| SCHEMBL4639854 | 0.77 | CYP2C9 (0.41) | ALDH1A1KDM4EHSD17B10CHRNB4CHRNA3 | |
| SCHEMBL2210855 | 0.76 | CHRNB4 (0.49) | ALDH1A1KDM4ECHRNB4CHRNA3SLC18A3 | |
| SCHEMBL2209482 | 0.71 | GAA (0.35) | NPC1MAPK1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL4620189 | 0.71 | NLRP3 (0.47) | NPC1RAB9AALDH1A1SMN1; SMN2CHRNB4 | |
| SCHEMBL12901458 | 0.69 | SLC18A3 (0.37) | ALDH1A1SLC18A3HTR1AADRA1B |
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-1888542-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | claimed |
| WO-2006136245-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-28 | — | — | WO | claimed |