Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5054417 | 1.00 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2CYP1A2POLB | |
| SCHEMBL5011473 | 0.99 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2CYP1A2POLB | |
| SCHEMBL5015769 | 0.90 | LMNA (0.41) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL5012168 | 0.90 | LMNA (0.41) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL5014462 | 0.90 | CHRNB4 (0.39) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL5012242 | 0.90 | CHRNB4 (0.39) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL5012884 | 0.89 | LMNA (0.39) | NPC1RAB9ASMN1; SMN2CYP1A2POLB | |
| SCHEMBL5012234 | 0.89 | LMNA (0.39) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5012291 | 0.88 | LMNA (0.38) | NPC1RAB9ASMN1; SMN2CYP1A2POLB | |
| SCHEMBL5015753 | 0.88 | RAB9A (0.41) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1888596-B1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2014-10-22 | — | — | EP | claimed |
| EP-1888596-A1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | claimed |
| WO-2006122770-A1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | Grünenthal GmbH (DE) | 2006-11-23 | — | — | WO | claimed |
| EP-1888596-B1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2014-10-22 | — | — | EP | disclosed |