Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.68 |
| ▸ | MC4R | P32245 | 5/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | MC5R | P33032 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3346490 | 0.91 | KCNH2 (0.65) | KCNH2ROCK2PRKG1POLBMEN1 | |
| SCHEMBL3346321 | 0.84 | KCNH2 (0.77) | KCNH2MC4RLMNACYP3A4CYP2D6 | |
| SCHEMBL3347903 | 0.83 | KCNH2 (0.67) | KCNH2MC4RROCK2CYP3A4CYP2D6 | |
| SCHEMBL3347178 | 0.82 | KCNH2 (0.53) | KCNH2ROCK2PRKG1POLBMEN1 | |
| SCHEMBL13365111 | 0.82 | KCNH2 (0.68) | KCNH2MC4RROCK2CYP3A4CYP2D6 | |
| SCHEMBL3346364 | 0.82 | KCNH2 (0.68) | KCNH2MC4RROCK2CYP3A4CYP2D6 | |
| SCHEMBL3346599 | 0.82 | KCNH2 (0.68) | KCNH2MC4RROCK2CYP3A4CYP2D6 | |
| SCHEMBL3350659 | 0.82 | KCNH2 (0.68) | KCNH2MC4RROCK2CYP3A4CYP2D6 | |
| SCHEMBL3346870 | 0.82 | KCNH2 (0.62) | KCNH2MC4RKMT2ASMN1; SMN2CYP3A4 | |
| SCHEMBL3346354 | 0.81 | KCNH2 (0.67) | KCNH2MC4RROCK2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010059922-A1 | PYRROLIDINE CARBOXAMIDE COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2010-05-27 | — | — | WO | claimed |
| WO-2010059922-A1 | PYRROLIDINE CARBOXAMIDE COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2010-05-27 | — | — | WO | disclosed |