Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.45 |
| ▸ | MIF | P14174 | 3/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL10410232 | 0.87 | ESR1 (0.46) | ESR1ESR2CA1CA2TSHR | |
| SCHEMBL10410459 | 0.86 | TAS1R3 (0.52) | ESR1ESR2CA1CA2SMN1; SMN2 | |
| SCHEMBL11855985 | 0.86 | ESR1 (0.45) | ESR1ESR2CA1CA2TSHR | |
| SCHEMBL11852062 | 0.86 | ESR1 (0.45) | ESR1ESR2CA1CA2SMN1; SMN2 | |
| SCHEMBL2288351 | 0.85 | KMT2A (0.53) | CA1CA2LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL477427 | 0.84 | ESR1 (0.46) | ESR1ESR2TSHRLMNASMN1; SMN2 | |
| SCHEMBL7716645 | 0.83 | ESR1 (0.70) | ESR1ESR2CA1CA2LMNA | |
| SCHEMBL27447973 | 0.82 | MGLL (0.47) | ESR1ESR2CA1CA2LMNA | |
| SCHEMBL6943616 | 0.81 | LMNA (0.46) | ESR1ESR2CA2LMNACYP1A2 | |
| SCHEMBL5699327 | 0.81 | ESR1 (0.44) | ESR1ESR2CA1CA2TSHR |
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-1027068-C | Process for the preparation of alpha-substituted 4- (quinolin-2-yl-methoxy) phenylacetic acids and esters | BAYER AG (DE) | 1994-12-21 | — | — | CN | disclosed |
| CN-1045777-A | Alpha-substitution-preparation method of 4-(quinoline-2-base-methoxyl group) toluylic acid and ester | BAYER AG (DE) | 1990-10-03 | — | — | CN | disclosed |
| US-4929626-A | α-substituted 4-(quinolin-2-yl-methoxy)phenylacetic acids and esters and lipoxygenase inhibition therewith | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-29 | — | — | US | disclosed |