Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8981801 | 0.89 | RXRA (0.39) | ESR2ESR1RXRARXRBRXRG | |
| SCHEMBL9770551 | 0.85 | CNR1 (0.39) | ESR2ESR1RXRARXRBRXRG | |
| SCHEMBL10339561 | 0.85 | ESR1 (0.41) | ESR2ESR1RXRARXRBRXRG | |
| SCHEMBL18740984 | 0.83 | ESR1 (0.37) | ESR2ESR1RXRARXRBRXRG | |
| SCHEMBL9770704 | 0.82 | SKP2 (0.45) | ESR2RXRACYP26A1CYP26B1CYP1A2 | |
| SCHEMBL17805446 | 0.81 | PDK2 (0.43) | ESR2ESR1TRPA1CYP1A2CYP2A6 | |
| SCHEMBL11949124 | 0.80 | KDM4E (0.40) | ESR2ESR1RXRARXRBRXRG | |
| SCHEMBL18740982 | 0.80 | RARA (0.41) | ESR2ESR1RXRARXRBRXRG | |
| SCHEMBL3176733 | 0.80 | RXRA (0.54) | RXRARXRBRXRGCYP26A1CYP26B1 | |
| SCHEMBL27473293 | 0.80 | SLC6A2 (0.42) | ESR1DRD2HTR2CHTR2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4987261-A | Diaminoindane derivatives | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-01-22 | — | — | US | disclosed |