Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLQ | O75417 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTGIR | P43119 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8624620 | 1.00 | TACR1 (0.38) | TACR1SLC6A4ALDH1A1POLQLMNA | |
| SCHEMBL8628958 | 0.90 | ALDH1A1 (0.38) | TACR1SLC6A4ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8624410 | 0.90 | ALDH1A1 (0.38) | TACR1SLC6A4ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL31453592 | 0.83 | ALDH1A1 (0.40) | TACR1SLC6A4ALDH1A1POLQLMNA | |
| SCHEMBL8628786 | 0.82 | ALDH1A1 (0.40) | ALDH1A1POLQLMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL8627774 | 0.82 | ALDH1A1 (0.40) | ALDH1A1POLQLMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL8626616 | 0.79 | NPSR1 (0.35) | ALDH1A1LMNAL3MBTL1KMT2AOPRM1 | |
| SCHEMBL8622686 | 0.79 | NPSR1 (0.35) | ALDH1A1LMNAL3MBTL1KMT2AOPRM1 | |
| SCHEMBL8626320 | 0.78 | ALDH1A1 (0.40) | ALDH1A1POLQLMNASMN1; SMN2PTGIR | |
| SCHEMBL9847870 | 0.74 | ALDH1A1 (0.43) | TACR1SLC6A4ALDH1A1POLQPTGIR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0684942-B1 | METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF | HOECHST CELANESE CORP (US) | 1998-06-10 | — | — | EP | disclosed |
| EP-0684942-A4 | — | — | 1995-12-27 | — | — | EP | disclosed |
| EP-0684942-A1 | METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF | HOECHST CELANESE CORPORATION (US) | 1995-12-06 | — | — | EP | disclosed |
| US-5430152-A | Heating aminoarylester in presence of chlorosulfonic acid, oleum | HOECHST CELANESE CORPORATION (US) | 1995-07-04 | — | — | US | disclosed |
| WO-1994019312-A1 | METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF | HOECHST CELANESE CORPORATION (US) | 1994-09-01 | — | — | WO | disclosed |