Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8505739 | 0.78 | TACR1 (0.42) | TACR1KDM1ARCOR1CYP1A2CYP2A6 | |
| SCHEMBL28572312 | 0.74 | SLC6A4 (0.50) | SLC6A4CYP2D6SLC6A2SLC6A3KCNH2 | |
| SCHEMBL8908131 | 0.69 | KDM1A (0.46) | KDM1ARCOR1CYP1A2CYP2A6EGFR | |
| SCHEMBL13059859 | 0.69 | LIG1 (0.38) | TACR1KDM1ARCOR1SLC6A4SLC6A2 | |
| SCHEMBL8717928 | 0.68 | TACR1 (0.40) | TACR1 | |
| SCHEMBL31611671 | 0.68 | KDM1A (0.44) | KDM1ARCOR1CYP1A2CYP2A6EGFR | |
| SCHEMBL16182215 | 0.67 | TACR1 (0.41) | TACR1KCNH2 | |
| SCHEMBL8908135 | 0.67 | KDM1A (0.43) | KDM1ARCOR1CYP1A2CYP2A6EGFR | |
| Hydrochloric Acid SCHEMBL8911488 | 0.67 | TACR1 (0.42) | TACR1KDM1ARCOR1DRD2 | |
| SCHEMBL8720765 | 0.66 | TACR1 (0.36) | TACR1 |
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 |