Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8908131 | 0.91 | KDM1A (0.46) | KDM1ARCOR1CYP1A2CYP2A6SLC6A4 | |
| SCHEMBL8907343 | 0.79 | TACR1 (0.49) | KDM1ARCOR1TRPA1DRD2HTR2A | |
| SCHEMBL21559944 | 0.78 | TRPA1 (0.41) | KDM1ARCOR1TRPA1SLC6A3ESR1 | |
| SCHEMBL8907499 | 0.75 | ESR2 (0.44) | KDM1ARCOR1TRPA1DRD2ESR1 | |
| SCHEMBL8907505 | 0.75 | ESR2 (0.44) | KDM1ARCOR1TRPA1DRD2ESR1 | |
| SCHEMBL5400233 | 0.71 | SLC6A4 (0.56) | SLC6A4SLC6A2SLC6A3DRD2KDM4E | |
| SCHEMBL4648603 | 0.71 | SLC6A4 (0.56) | SLC6A4SLC6A2SLC6A3DRD2KDM4E | |
| SCHEMBL3673985 | 0.69 | BACE1 (0.54) | SLC6A4SLC6A2SLC6A3DRD2KDM4E | |
| Naphthalene SCHEMBL9359039 | 0.69 | BACE1 (0.54) | SLC6A4SLC6A2SLC6A3DRD2KDM4E | |
| SCHEMBL28228539 | 0.69 | BACE1 (0.54) | SLC6A4SLC6A2SLC6A3DRD2KDM4E |
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-0799231-A1 | SPIROKETAL DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1997-10-08 | — | — | EP | disclosed |