Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 8/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11148451 | 0.86 | NPC1 (0.45) | ALDH1A1SMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL11192028 | 0.85 | HPGDS (0.52) | ALDH1A1SMN1; SMN2NR3C1NPC1MAPT | |
| SCHEMBL11200295 | 0.83 | ALDH1A1 (0.54) | ALDH1A1KDM4ESMN1; SMN2NPC1MAPT | |
| SCHEMBL11200589 | 0.80 | NPC1 (0.43) | ALDH1A1SMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL11133330 | 0.79 | TYR (0.40) | KDM4ENPC1RAB9A | |
| SCHEMBL11373460 | 0.78 | TYR (0.39) | SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL11373466 | 0.78 | TYR (0.39) | KDM4ENPC1RAB9A | |
| SCHEMBL11616071 | 0.78 | ALDH1A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2NPC1MAPT | |
| SCHEMBL9601963 | 0.77 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL11148448 | 0.76 | HTT (0.46) | SMN1; SMN2NPC1MAPTRAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4299831-A | 2-Trifluoromethyl-3-quinoline carboxamides, analgesic and anti-inflammatory compositions and methods employing them | ROUSSEL UCLAF (FR) | 1981-11-10 | — | — | US | claimed |
| EP-0012639-B1 | QUINOLEIN-3-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE IN MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1983-09-07 | — | — | EP | disclosed |
| EP-0049555-A1 | 2-Trifluoromethyl-4-hydroxy-3 quinoline-carboxylic-acid derivatives and their preparation | ROUSSEL-UCLAF (FR) | 1982-04-14 | — | — | EP | disclosed |
| US-4299831-A | 2-Trifluoromethyl-3-quinoline carboxamides, analgesic and anti-inflammatory compositions and methods employing them | ROUSSEL UCLAF (FR) | 1981-11-10 | — | — | US | disclosed |
| EP-0012639-A2 | Quinolein-3-carboxylic acid derivatives, process for their preparation, their use in medicines and pharmaceutical compositions containing them | ROUSSEL-UCLAF (FR) | 1980-06-25 | — | — | EP | disclosed |