Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TACR3 | P29371 | 12/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TACR2 | P21452 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PRNP | P04156 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27092032 | 0.77 | POLB (0.55) | POLBKDM4EALDH1A1LMNATDP1 | |
| SCHEMBL3959255 | 0.75 | TACR3 (0.68) | TACR3LMNACYP3A4TACR2DHODH | |
| SCHEMBL16098313 | 0.73 | TACR3 (0.73) | TACR3CYP3A4TACR2DHODHTSHR | |
| SCHEMBL3961862 | 0.72 | TACR3 (0.67) | TACR3LMNACYP3A4TACR2DHODH | |
| SCHEMBL8271391 | 0.72 | TACR3 (0.65) | TACR3LMNACYP3A4TACR2DHODH | |
| SCHEMBL1408391 | 0.71 | POLB (1.00) | POLBKDM4EALDH1A1LMNATDP1 | |
| SCHEMBL26314588 | 0.69 | PRNP (0.67) | POLBKDM4EALDH1A1LMNAL3MBTL1 | |
| SCHEMBL31109175 | 0.69 | POLB (0.50) | POLBTACR3ALDH1A1LMNANPSR1 | |
| SCHEMBL13114122 | 0.68 | NPC1 (0.52) | POLBTACR3KDM4EALDH1A1LMNA | |
| SCHEMBL9628662 | 0.67 | POLB (0.56) | POLBKDM4EALDH1A1LMNAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000058303-A9 | 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2002-12-19 | — | — | WO | disclosed |
| EP-1165542-A1 | 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000058303-A1 | 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2000-10-05 | — | — | WO | disclosed |