Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | UNG | P13051 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5399099 | 0.72 | OPRM1 (0.58) | OPRM1 | |
| SCHEMBL23704865 | 0.70 | CA12 (0.42) | KMOALDH1A1UNGHPGDHSD17B10 | |
| SCHEMBL23705007 | 0.70 | CA12 (0.42) | KMOALDH1A1UNGHPGDHSD17B10 | |
| SCHEMBL14291879 | 0.69 | AKT1 (0.45) | UNGCA12CA1CA2CA6 | |
| SCHEMBL17315678 | 0.69 | — | — | |
| SCHEMBL12064958 | 0.68 | UNG (0.47) | KMOALDH1A1UNGHPGDHSD17B10 | |
| SCHEMBL15019437 | 0.68 | KMO (0.90) | KMOALDH1A1UNGHPGDHSD17B10 | |
| SCHEMBL30422688 | 0.68 | KMO (0.48) | KMOALDH1A1UNGHPGDHSD17B10 | |
| SCHEMBL29877940 | 0.68 | CA12 (0.47) | KMOALDH1A1UNGOPRM1HPGD | |
| SCHEMBL3941914 | 0.68 | CA12 (0.47) | KMOALDH1A1UNGHPGDHSD17B10 |
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-2016096115-A1 | HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2016-06-23 | — | — | WO | disclosed |