Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3990914 | 0.85 | ESR1 (0.59) | ESR1ESR2CYP2D6SRCCRHBP | |
| SCHEMBL28752431 | 0.85 | ESR1 (0.59) | ESR1ESR2CYP2D6SRCCRHBP | |
| SCHEMBL871451 | 0.83 | ESR1 (0.57) | ESR1ESR2CYP2D6SRCCRHBP | |
| SCHEMBL28196464 | 0.81 | ESR1 (0.55) | ESR1ESR2CYP2D6SRCCRHBP | |
| SCHEMBL28752433 | 0.81 | ESR1 (0.55) | ESR1ESR2CYP2D6SRCCRHBP | |
| SCHEMBL871450 | 0.81 | ESR1 (0.55) | ESR1ESR2CYP2D6SRCCRHBP | |
| Hydrochloric Acid SCHEMBL11846585 | 0.81 | ESR1 (0.55) | ESR1ESR2CYP2D6SRCCRHBP | |
| SCHEMBL7019902 | 0.80 | CRHBP (0.54) | ESR1ESR2CYP2D6SRCCRHBP | |
| SCHEMBL11000173 | 0.79 | KMT2A (0.57) | ESR1ESR2CYP2D6SRCCRHBP | |
| SCHEMBL1955 | 0.79 | ESR1 (0.53) | ESR1ESR2CYP2D6SRCCRHBP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2558445-B1 | INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES | MEDIMMUNE LTD (GB) | 2017-03-22 | — | — | EP | disclosed |