Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5015742 | 1.00 | ALDH1A1 (0.52) | ALDH1A1HPGDTSHRMAPK10NPC1 | |
| SCHEMBL5012858 | 0.89 | ALDH1A1 (0.55) | ALDH1A1HPGDTSHRMAPK10NPC1 | |
| SCHEMBL5124994 | 0.88 | ALDH1A1 (0.51) | ALDH1A1HPGDTSHRMAPK10NPC1 | |
| SCHEMBL5123554 | 0.88 | ALDH1A1 (0.51) | ALDH1A1HPGDTSHRMAPK10NPC1 | |
| SCHEMBL5014462 | 0.88 | CHRNB4 (0.39) | ALDH1A1HPGDTSHRMAPK10NPC1 | |
| SCHEMBL5012242 | 0.88 | CHRNB4 (0.39) | ALDH1A1HPGDTSHRMAPK10NPC1 | |
| SCHEMBL5130690 | 0.84 | LMNA (0.57) | ALDH1A1HPGDTSHRMAPK10NPC1 | |
| SCHEMBL5015777 | 0.84 | TDP1 (0.44) | ALDH1A1MAPK10NPC1SMN1; SMN2HTT | |
| SCHEMBL5054417 | 0.84 | NPC1 (0.39) | ALDH1A1TSHRNPC1RAB9AKMT2A | |
| SCHEMBL5012874 | 0.84 | NPC1 (0.39) | ALDH1A1TSHRNPC1RAB9AKMT2A |
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 |