Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.45 |
| ▸ | HSD17B3 | P37058 | 5/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5699336 | 0.94 | ESR1 (0.44) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5699294 | 0.94 | ESR1 (0.44) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL2384369 | 0.94 | ESR1 (0.44) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5699327 | 0.94 | ESR1 (0.44) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL6204523 | 0.89 | MEN1 (0.49) | CA2MAPK1SMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL10410282 | 0.87 | ESR1 (0.62) | ESR1ESR2CA1CA2MAPK1 | |
| SCHEMBL2417275 | 0.86 | PSMB11 (0.48) | MAPK1CYP1A2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL2417274 | 0.86 | PSMB11 (0.48) | MAPK1CYP1A2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL1767974 | 0.86 | LMNA (0.47) | MAPK1SMN1; SMN2TSHRLMNACYP1A2 | |
| SCHEMBL4206097 | 0.85 | MMP8 (0.50) | CA2SMN1; SMN2TDP1ALDH1A1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |