Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.38 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22783498 | 0.88 | NOTUM (0.44) | CHRNB2CHRNA4SETD7ALDH1A1KMT2A | |
| SCHEMBL27152941 | 0.86 | HSD11B1 (0.39) | HPGDALDH1A1PROKR1MAPTTSHR | |
| SCHEMBL28392718 | 0.83 | MEN1 (0.44) | HPGDSIGMAR1PROKR1MEN1KMT2A | |
| SCHEMBL10266800 | 0.81 | CHRNB2 (0.43) | CHRNB2CHRNA4SETD7ALDH1A1PROKR1 | |
| SCHEMBL2405534 | 0.81 | KDM4E (0.48) | MEN1KMT2A | |
| SCHEMBL12320787 | 0.80 | CHRNB2 (0.45) | CHRNB2CHRNA4HPGDSETD7ALDH1A1 | |
| SCHEMBL7602039 | 0.80 | SETD7 (0.61) | CHRNB2CHRNA4SETD7ALDH1A1PROKR1 | |
| SCHEMBL27166111 | 0.80 | PROKR1 (0.54) | PROKR1 | |
| SCHEMBL3210075 | 0.77 | NPC1 (0.50) | CHRNB2CHRNA4HPGDALDH1A1MEN1 | |
| SCHEMBL2079886 | 0.76 | CHRNB2 (0.42) | CHRNB2CHRNA4SETD7ALDH1A1PROKR1 |
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-2365749-A1 | QUINOLONE NEUROPEPTIDE S RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-09-21 | — | — | EP | disclosed |
| WO-2010056564-A1 | QUINOLONE NEUROPEPTIDE S RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-20 | — | — | WO | disclosed |