Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8907499 | 1.00 | ESR2 (0.44) | ESR2ESR1TRPA1SLC18A3SIGMAR1 | |
| SCHEMBL8908131 | 0.85 | KDM1A (0.46) | ESR2ESR1KDM1ARCOR1DRD2 | |
| SCHEMBL8907550 | 0.82 | MEN1 (0.38) | ESR2ESR1TRPA1NPC1RAB9A | |
| SCHEMBL8907338 | 0.81 | HTR2C (0.52) | KDM1ARCOR1TACR1DRD2 | |
| SCHEMBL8718206 | 0.80 | TRPA1 (0.50) | ESR2ESR1TRPA1SLC18A3SIGMAR1 | |
| SCHEMBL21559944 | 0.79 | TRPA1 (0.41) | ESR2ESR1TRPA1ATMKDM1A | |
| SCHEMBL8908135 | 0.75 | KDM1A (0.43) | ESR2ESR1TRPA1KDM1ARCOR1 | |
| SCHEMBL8718208 | 0.74 | TRPA1 (0.61) | TRPA1SLC18A3SIGMAR1TACR1DRD2 | |
| SCHEMBL18466635 | 0.74 | SLC18A3 (0.48) | ESR2ESR1TRPA1SLC18A3SIGMAR1 | |
| SCHEMBL17149546 | 0.74 | AKR1C3 (0.50) | SLC18A3SIGMAR1NPC1RAB9AATM |
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 3 patents. 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 | claimed |
| EP-0799231-A1 | SPIROKETAL DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996020197-A1 | SPIROKETAL DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-07-04 | — | — | WO | disclosed |