Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A9 | P06702 | 1/20 | 0.35 |
| ▸ | ULK1 | O75385 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7909970 | 0.85 | ADORA2A (0.35) | — | |
| SCHEMBL7919587 | 0.81 | CHRNB2 (0.46) | NR1I2HSD11B1KDM4EMEN1ALDH1A1 | |
| SCHEMBL7916846 | 0.79 | CHRNB2 (0.42) | NR1I2HSD11B1ALDH1A1MAPT | |
| SCHEMBL8149329 | 0.78 | PTGS2 (0.42) | NR1I2HSD11B1KDM4EALDH1A1HPGD | |
| SCHEMBL5345569 | 0.75 | TACR1 (0.37) | S100A9MEN1ALDH1A1HPGDKMT2A | |
| SCHEMBL8118971 | 0.71 | MAPT (0.36) | NR1I2HSD11B1KDM4EMEN1ALDH1A1 | |
| SCHEMBL9080396 | 0.71 | ALDH1A1 (0.45) | KDM4EMEN1ALDH1A1HPGDKMT2A | |
| SCHEMBL8177172 | 0.70 | NR1I2 (0.35) | NR1I2HSD11B1 | |
| SCHEMBL8124207 | 0.70 | NR1I2 (0.36) | NR1I2HSD11B1MAPT | |
| SCHEMBL7916612 | 0.70 | CYP1A2 (0.43) | S100A9ULK1KDRAURKAAURKB |
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 |
|---|---|---|---|---|---|---|---|
| US-6225320-B1 | TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 2001-05-01 | — | — | US | disclosed |
| EP-0989987-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2000-04-05 | — | — | EP | disclosed |
| WO-1998054187-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-12-03 | — | — | WO | disclosed |