Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 5/20 | 0.54 |
| ▸ | MLYCD | O95822 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5703500 | 0.82 | HPGD (0.73) | ALDH1A1LMNAMAPTRAB9ANPC1 | |
| SCHEMBL1844719 | 0.81 | OPRM1 (0.67) | ALDH1A1LMNAMAPTRAB9ANPC1 | |
| SCHEMBL5095020 | 0.80 | HPGD (0.59) | ALDH1A1LMNAMAPTRAB9ANPC1 | |
| SCHEMBL4472661 | 0.80 | NPC1 (0.82) | ALDH1A1LMNAMAPTRAB9ANPC1 | |
| SCHEMBL177478 | 0.79 | HPGD (0.68) | ALDH1A1MAPTRAB9AHPGDSMN1; SMN2 | |
| SCHEMBL1495914 | 0.79 | MEN1 (0.79) | ALDH1A1LMNAMAPTRAB9ANPC1 | |
| SCHEMBL6308636 | 0.77 | HPGD (0.67) | ALDH1A1LMNAMAPTRAB9ANPC1 | |
| SCHEMBL7166974 | 0.77 | MAPT (0.63) | ALDH1A1LMNAMAPTRAB9ANPC1 | |
| SCHEMBL27649211 | 0.77 | ALDH1A1 (0.55) | ALDH1A1LMNAMAPTRAB9ANPC1 | |
| SCHEMBL6770181 | 0.77 | KMT2A (0.58) | ALDH1A1LMNAMAPTRAB9ANPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1675847-B1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORP (US) | 2012-12-05 | — | — | EP | disclosed |
| EP-2399577-A1 | Use of N-containing spirocompounds for the enhancement of cognitive function | Adolor Corporation (US) | 2011-12-28 | — | — | EP | disclosed |
| EP-1675847-A4 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORP (US) | 2008-08-20 | — | — | EP | disclosed |
| EP-1675847-A2 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | Adolor Corporation (US) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005033073-A2 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2005-04-14 | — | — | WO | disclosed |