Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | EFNA1 | P20827 | 1/20 | 0.50 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.50 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.50 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.50 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.50 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.50 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11156713 | 1.00 | CYP19A1 (0.51) | CYP19A1GPBAR1LMNAEPHA2HSD17B10 | |
| SCHEMBL18688811 | 0.87 | CYP19A1 (0.49) | CYP19A1GPBAR1LMNAEPHA2HSD17B10 | |
| SCHEMBL11482161 | 0.86 | CYP19A1 (0.48) | CYP19A1GPBAR1LMNAEPHA2HSD17B10 | |
| SCHEMBL11327393 | 0.86 | CYP19A1 (0.48) | CYP19A1GPBAR1LMNAEPHA2HSD17B10 | |
| SCHEMBL6925265 | 0.86 | CYP19A1 (0.48) | CYP19A1GPBAR1LMNAEPHA2HSD17B10 | |
| SCHEMBL20014285 | 0.85 | CYP19A1 (0.47) | CYP19A1GPBAR1LMNAEPHA2HSD17B10 | |
| SCHEMBL18576088 | 0.85 | CYP19A1 (0.47) | CYP19A1GPBAR1LMNAEPHA2HSD17B10 | |
| SCHEMBL27747339 | 0.83 | CYP19A1 (0.48) | CYP19A1GPBAR1LMNAEPHA2HSD17B10 | |
| SCHEMBL144721 | 0.83 | GRIN1 (0.55) | CYP19A1GPBAR1LMNAEPHA2HSD17B10 | |
| SCHEMBL20677083 | 0.83 | GRIN1 (0.55) | CYP19A1GPBAR1LMNAEPHA2HSD17B10 |
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-2017199033-A1 | INTERMEDIATES FOR THE SYNTHESIS OF BILE ACID DERIVATIVES, IN PARTICULAR OF OBETICHOLIC ACID | NZP UK Limited (GB) | 2017-11-23 | — | — | WO | disclosed |