Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3347825 | 0.88 | GPBAR1 (0.43) | KCNH2ROCK2MC4RGPBAR1 | |
| SCHEMBL3410485 | 0.83 | MC4R (0.43) | KCNH2ROCK2MC4RALDH1A1 | |
| SCHEMBL3346548 | 0.83 | GPBAR1 (0.39) | KMT2AROCK2MC4RKDM4EMEN1 | |
| SCHEMBL3410126 | 0.82 | MC4R (0.57) | KCNH2MC4RCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3348171 | 0.80 | TAAR1 (0.53) | KCNH2KMT2AMC4RKDM4EMEN1 | |
| SCHEMBL3353112 | 0.79 | MC4R (0.43) | KCNH2ROCK2MC4RCHRNB2CHRNB4 | |
| SCHEMBL3346658 | 0.79 | KCNH2 (0.40) | KCNH2KMT2AROCK2CHRNB2CHRNB4 | |
| SCHEMBL3352433 | 0.79 | CNR1 (0.46) | KCNH2KMT2AROCK2MC4RMEN1 | |
| SCHEMBL3353146 | 0.78 | TAAR1 (0.47) | KCNH2KMT2AROCK2MC4RMEN1 | |
| SCHEMBL3346268 | 0.75 | KCNH2 (0.55) | KCNH2MC4R |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010059922-A1 | PYRROLIDINE CARBOXAMIDE COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2010-05-27 | — | — | WO | claimed |