Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7099223 | 1.00 | ALDH1A1 (0.49) | ALDH1A1GAAMAPTCHRNB2CHRNA4 | |
| SCHEMBL7098386 | 0.98 | ALDH1A1 (0.47) | ALDH1A1GAAMAPTCHRNB2CHRNA4 | |
| SCHEMBL7099158 | 0.83 | ALDH1A1 (0.38) | ALDH1A1GAAMAPTCHRNB2CHRNA4 | |
| SCHEMBL7097832 | 0.83 | ALDH1A1 (0.38) | ALDH1A1GAAMAPTCHRNB2CHRNA4 | |
| SCHEMBL7097813 | 0.82 | MAPT (0.34) | ALDH1A1GAAMAPTLMNAMEN1 | |
| SCHEMBL7097828 | 0.82 | MAPT (0.34) | ALDH1A1GAAMAPTLMNAMEN1 | |
| SCHEMBL7103269 | 0.81 | ALDH1A1 (0.36) | ALDH1A1GAAMAPTCHRNB2CHRNA4 | |
| SCHEMBL7100981 | 0.81 | CHRNB2 (0.37) | ALDH1A1GAAMAPTCHRNB2CHRNA4 | |
| SCHEMBL7099497 | 0.81 | CHRNB2 (0.41) | ALDH1A1GAAMAPTCHRNB2CHRNA4 | |
| SCHEMBL7098002 | 0.81 | CHRNB2 (0.37) | ALDH1A1GAAMAPTCHRNB2CHRNA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1361774-A | Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments | ABBOTT INC (US) | 2002-07-31 | — | — | CN | claimed |
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | disclosed |