Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8626616 | 1.00 | NPSR1 (0.35) | NPSR1EPHX2MAPTMEN1LMNA | |
| SCHEMBL8624410 | 0.82 | ALDH1A1 (0.38) | NPSR1MAPTMEN1LMNACYP1A2 | |
| SCHEMBL8628958 | 0.82 | ALDH1A1 (0.38) | NPSR1MAPTMEN1LMNACYP1A2 | |
| SCHEMBL8622855 | 0.81 | NPSR1 (0.39) | NPSR1EPHX2MAPTMEN1LMNA | |
| SCHEMBL8624142 | 0.81 | NPSR1 (0.39) | NPSR1EPHX2MAPTMEN1LMNA | |
| SCHEMBL8627403 | 0.79 | TACR1 (0.38) | LMNACYP2C9KMT2AALDH1A1OPRM1 | |
| SCHEMBL8624620 | 0.79 | TACR1 (0.38) | LMNACYP2C9KMT2AALDH1A1OPRM1 | |
| SCHEMBL8628239 | 0.79 | NPSR1 (0.37) | NPSR1MAPTMEN1LMNACYP1A2 | |
| SCHEMBL8625377 | 0.79 | NPSR1 (0.37) | NPSR1MAPTMEN1LMNACYP1A2 | |
| SCHEMBL8622690 | 0.77 | OPRM1 (0.33) | NPSR1EPHX2MAPTMEN1LMNA |
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 |