Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 4/20 | 0.35 |
| ▸ | PPARA | Q07869 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 2/20 | 0.33 |
| ▸ | TMPRSS6 | Q8IU80 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7403768 | 0.83 | CA12 (0.42) | MCL1CA12CA1CA2CA9 | |
| SCHEMBL7400375 | 0.78 | MCL1 (0.39) | MCL1PPARGPPARACYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL7396525 | 0.75 | CA12 (0.40) | MCL1CA12CA1CA2CA9 | |
| Trifluoroacetic Acid SCHEMBL7544964 | 0.73 | MTNR1A (0.38) | MCL1ACMSDPPARGPPARACYP2C9 | |
| Trifluoroacetic Acid SCHEMBL7319779 | 0.72 | HTR6 (0.55) | MCL1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL7398637 | 0.70 | MTNR1A (0.43) | MCL1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL7400090 | 0.70 | MAOB (0.47) | MCL1CA1CA2CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL7305404 | 0.70 | MPO (0.47) | — | |
| Hydrochloric Acid SCHEMBL7403059 | 0.70 | CA1 (0.39) | CA1CA2CA9CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL7401752 | 0.69 | TTK (0.41) | CYP2C9CYP2C19HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001034146-A1 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | claimed |
| WO-2001034146-A1 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | disclosed |