Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 4/20 | 0.32 |
| ▸ | FASN | P49327 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4352206 | 0.86 | GAA (0.39) | ALDH1A1NPSR1NPC1RAB9ACCR8 | |
| SCHEMBL4357783 | 0.77 | ALDH1A1 (0.33) | ALDH1A1NPSR1NPC1RAB9AAVPR2 | |
| SCHEMBL4354709 | 0.77 | ALDH1A1 (0.34) | ALDH1A1NPSR1NPC1RAB9AHPGD | |
| SCHEMBL4345627 | 0.75 | ALDH1A1 (0.33) | ALDH1A1FASNHPGD | |
| SCHEMBL10521823 | 0.75 | TPMT (0.39) | ALDH1A1RAB9AHSD17B10 | |
| SCHEMBL4347843 | 0.69 | HPGD (0.61) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL4342175 | 0.69 | HPGD (0.62) | ALDH1A1NPC1HPGDPOLBHSD17B10 | |
| SCHEMBL4347078 | 0.66 | ALDH1A1 (0.34) | ALDH1A1NPSR1NPC1RAB9AHPGD | |
| SCHEMBL4345617 | 0.65 | HPGD (0.42) | ALDH1A1HPGDPOLBHSD17B10 | |
| SCHEMBL4358658 | 0.64 | GAA (0.34) | ALDH1A1NPSR1NPC1RAB9AHPGD |
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-2088149-A1 | PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF | Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) | 2009-08-12 | — | — | EP | claimed |
| EP-2088149-A1 | PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF | Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) | 2009-08-12 | — | — | EP | disclosed |