Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10434660 | 0.76 | C5AR1 (0.36) | KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL11406694 | 0.73 | CXCL8 (0.44) | AKR1B1TDP1CYP2C9SMN1; SMN2CXCL8 | |
| SCHEMBL9540987 | 0.72 | PDPK1 (0.35) | HPGDKDM4EMAPTALDH1A1NPSR1 | |
| SCHEMBL11415456 | 0.72 | CXCL8 (0.45) | AKR1B1TDP1CYP2C9SMN1; SMN2CXCL8 | |
| SCHEMBL11412753 | 0.72 | CXCL8 (0.43) | AKR1B1TDP1CYP2C9SMN1; SMN2CXCL8 | |
| SCHEMBL11418236 | 0.72 | CXCL8 (0.43) | AKR1B1TDP1CYP2C9SMN1; SMN2CXCL8 | |
| SCHEMBL9064675 | 0.72 | C5AR1 (0.36) | KDM4EMEN1KMT2ASMN1; SMN2POLB | |
| SCHEMBL28211714 | 0.72 | AKR1B1 (0.46) | AKR1B1TDP1BCAT2KDM4EMAPT | |
| SCHEMBL277886 | 0.71 | ESR1 (0.42) | HPGDKDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29959951 | 0.71 | ESR1 (0.42) | HPGDKDM4EMEN1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993014086-A1 | SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS | SYNTEX (U.S.A.) INC. (US) | 1993-07-22 | — | — | WO | disclosed |