Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.68 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.68 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.68 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.68 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.57 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.57 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.57 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.57 |
| ▸ | KDM6B | O15054 | 1/20 | 0.57 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.57 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.57 |
| ▸ | PPARG | P37231 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL27450922 | 0.91 | KEAP1 (0.66) | CHRNB2CHRNA4CHRNB4CHRNA3KEAP1 | |
| SCHEMBL11007801 | 0.89 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNB4CHRNA3HTT | |
| SCHEMBL436284 | 0.85 | KEAP1 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3KEAP1 | |
| SCHEMBL31448014 | 0.85 | KEAP1 (0.62) | KEAP1HTTFTOEGLN1KDM4C | |
| SCHEMBL8947154 | 0.83 | CHRNB2 (0.60) | CHRNB2CHRNA4CHRNB4CHRNA3HTT | |
| SCHEMBL7696324 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNB4CHRNA3KEAP1 | |
| SCHEMBL7217604 | 0.82 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNB4CHRNA3HTT | |
| SCHEMBL8841217 | 0.82 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNB4CHRNA3HTT | |
| SCHEMBL8410787 | 0.82 | NR1H4 (0.62) | CHRNB2CHRNA4CHRNB4CHRNA3KEAP1 | |
| SCHEMBL11713322 | 0.81 | KEAP1 (0.56) | CHRNB2CHRNA4CHRNB4CHRNA3KEAP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |
| WO-2002064558-A2 | OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS | SANKYO COMPANY, LIMITED (JP) | 2002-08-22 | — | — | WO | disclosed |