Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | CBR1 | P16152 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21139367 | 0.87 | ESR1 (0.44) | ESR1ESR2CYP3A4CYP19A1CYP1A1 | |
| SCHEMBL21139365 | 0.74 | CYP19A1 (0.56) | ESR1ESR2CYP3A4CYP19A1CYP1A1 | |
| SCHEMBL21139371 | 0.72 | NOX4 (0.49) | CYP3A4CYP19A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL379369 | 0.70 | CYP19A1 (0.65) | CYP3A4CYP19A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL15732281 | 0.69 | CYP19A1 (0.53) | ESR1ESR2CYP3A4CYP19A1CYP1A1 | |
| SCHEMBL21139388 | 0.69 | CYP19A1 (0.56) | ESR1ESR2CYP3A4CYP19A1CYP1A1 | |
| SCHEMBL799649 | 0.69 | TAS2R31 (0.72) | ESR1ESR2CYP3A4CYP19A1CYP1A1 | |
| SCHEMBL30641776 | 0.69 | TAS2R31 (0.72) | ESR1ESR2CYP3A4CYP19A1CYP1A1 | |
| SCHEMBL773766 | 0.69 | TAS2R31 (0.72) | ESR1ESR2CYP3A4CYP19A1CYP1A1 | |
| SCHEMBL21139391 | 0.68 | CYP19A1 (0.55) | ESR1ESR2CYP3A4CYP19A1CYP1A1 |
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-2019111265-A1 | COMPOUNDS AND METHODS FOR TREATING CANCER | SHARE GAL RESEARCH AND DEVELOPMENT LTD (IL) | 2019-06-13 | — | — | WO | disclosed |