Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.36 |
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.32 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13267449 | 0.82 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2LMNAHTTKCNH2 | |
| SCHEMBL178624 | 0.82 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2LMNAHTTKCNH2 | |
| SCHEMBL13076693 | 0.78 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2LMNAHTTKCNH2 | |
| SCHEMBL9070740 | 0.78 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2LMNAHTTKCNH2 | |
| SCHEMBL178483 | 0.78 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2LMNAHTTKCNH2 | |
| SCHEMBL10087245 | 0.77 | GPR139 (0.40) | ALDH1A1SMN1; SMN2LMNAHTTKCNH2 | |
| SCHEMBL8284254 | 0.74 | CYP3A4 (0.42) | ALDH1A1SMN1; SMN2LMNAHTTKCNH2 | |
| SCHEMBL178506 | 0.73 | SLC6A4 (0.47) | ALDH1A1SMN1; SMN2LMNAHTTKCNH2 | |
| SCHEMBL15419067 | 0.73 | SLC6A4 (0.47) | ALDH1A1SMN1; SMN2LMNAHTTKCNH2 | |
| SCHEMBL2668984 | 0.70 | TAS1R3 (0.49) | ALDH1A1SMN1; SMN2LMNAKCNH2SLC6A4 |
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-1177177-A1 | SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000068202-A1 | SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2000-11-16 | — | — | WO | disclosed |