Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19546313 | 1.00 | ESR1 (0.47) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| SCHEMBL5427932 | 0.83 | FOLH1 (0.55) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| SCHEMBL31173416 | 0.83 | FOLH1 (0.55) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| SCHEMBL6714743 | 0.83 | FOLH1 (0.55) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1971852 | 0.82 | FOLH1 (0.54) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1971853 | 0.82 | FOLH1 (0.54) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5376242 | 0.82 | FOLH1 (0.54) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| SCHEMBL6275744 | 0.81 | KMT2A (0.45) | ALDH1A1KDM4ETDP1CYP2C9THPO | |
| SCHEMBL6275948 | 0.81 | KMT2A (0.45) | ALDH1A1KDM4ETDP1CYP2C9THPO | |
| SCHEMBL2628427 | 0.81 | KMT2A (0.45) | ALDH1A1KDM4ETDP1CYP2C9THPO |
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 |
|---|---|---|---|---|---|---|---|
| EP-3145944-B1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS INC (US) | 2021-05-05 | — | — | EP | disclosed |