Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 3/20 | 0.68 |
| ▸ | NPC1 | O15118 | 3/20 | 0.68 |
| ▸ | RAB9A | P51151 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.65 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.65 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.65 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | GSK3A | P49840 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.58 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6774617 | 0.96 | CHRNB2 (0.71) | NAMPTNPC1RAB9ALMNAGAA | |
| SCHEMBL6631304 | 0.85 | CHRNB2 (0.89) | LMNAGAAALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL7020626 | 0.84 | ALDH1A1 (0.91) | GAAALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL13948995 | 0.81 | ALDH1A1 (0.70) | NAMPTNPC1RAB9ALMNAGAA | |
| SCHEMBL1017796 | 0.80 | CHRNB2 (1.00) | LMNAGAAALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL18132518 | 0.79 | ALDH1A1 (0.72) | NAMPTNPC1RAB9ALMNAGAA | |
| SCHEMBL6779138 | 0.79 | ALDH1A1 (1.00) | GAAALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7022703 | 0.79 | CHRNB2 (0.66) | NPC1RAB9ALMNAGAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL29598779 | 0.78 | CHRNB2 (0.96) | LMNAGAAALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL167081 | 0.77 | NAMPT (1.00) | NAMPTNPC1RAB9ALMNAGAA |
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-1325006-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR | NEUROGEN CORPORATION (US) | 2003-07-09 | — | — | EP | claimed |
| WO-2002012442-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR | NEUROGEN CORPORATION (US) | 2002-02-14 | — | — | WO | claimed |