Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HK1 | P19367 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4012984 | 0.78 | NR1H2 (0.62) | MEN1KMT2ANR1H2NR1H3RXRA | |
| SCHEMBL4011578 | 0.78 | NR1H2 (0.69) | NR1H2NR1H3RXRA | |
| SCHEMBL3508106 | 0.75 | ESR1 (0.42) | ESR1MEN1KMT2ANR1H2NR1H3 | |
| SCHEMBL3507631 | 0.75 | ESR1 (0.42) | ESR1MEN1KMT2ANR1H2ALDH1A1 | |
| SCHEMBL31690946 | 0.74 | BACE1 (0.50) | ESR1BACE1KMT2ANR1H2NR1H3 | |
| SCHEMBL4018001 | 0.73 | KDM4E (0.51) | ESR1MEN1KMT2ANR1H2NR1H3 | |
| SCHEMBL31690861 | 0.73 | BACE1 (0.49) | ESR1BACE1KMT2ANR1H2NR1H3 | |
| SCHEMBL3507644 | 0.73 | ESR1 (0.46) | ESR1MEN1KMT2ANR1H2NR1H3 | |
| SCHEMBL4012785 | 0.72 | NR1H2 (0.42) | ESR1NR1H2NR1H3IKBKBAURKA | |
| SCHEMBL4012404 | 0.72 | ESR1 (0.44) | ESR1NR1H2NR1H3RXFP1IKBKB |
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 |
|---|---|---|---|---|---|---|---|
| CN-101541751-A | Quinoline compounds | WYETH CORP (US) | 2009-09-23 | — | — | CN | disclosed |
| EP-2074098-A2 | QUINOLINE COMPOUNDS | Wyeth (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008049047-A2 | QUINOLINE COMPOUNDS | WYETH (US) | 2008-04-24 | — | — | WO | disclosed |