Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPBWR1 | P48145 | 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 | |
|---|---|---|---|---|
| SCHEMBL1096034 | 0.84 | ACP3 (0.41) | ACP3CNR2SLC6A4CACNA2D1CACNA1B | |
| SCHEMBL8503119 | 0.79 | ACP3 (0.37) | ACP3CNR2SLC6A4CACNA2D1CACNA1B | |
| SCHEMBL8396680 | 0.77 | ACP3 (0.46) | ACP3CNR2SLC6A4CACNA2D1CACNA1B | |
| SCHEMBL5698922 | 0.76 | ACP3 (0.45) | ACP3CNR2SLC6A4CACNA2D1CACNA1B | |
| SCHEMBL6507534 | 0.76 | ACP3 (0.45) | ACP3CNR2CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL29558149 | 0.76 | ACP3 (0.45) | ACP3CNR2SLC6A4CACNA2D1CACNA1B | |
| SCHEMBL10216843 | 0.76 | ACP3 (0.45) | ACP3CNR2SLC6A4CACNA2D1CACNA1B | |
| SCHEMBL8506253 | 0.76 | HSD11B1 (0.33) | ACP3CNR2SLC6A4P2RX7MC4R | |
| SCHEMBL720614 | 0.75 | ACP3 (0.39) | ACP3CNR2SLC6A4CACNA2D1CACNA1B | |
| Hydrochloric Acid SCHEMBL382176 | 0.74 | ACP3 (0.44) | ACP3CNR2SLC6A4CACNA2D1CACNA1B |
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-B1 | SPIROKETAL DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 1999-03-17 | — | — | EP | disclosed |
| US-5728695-A | TACHYKININ ANTAGONISTS USEFUL IN TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA | MERCK SHARP & DOHME LIMITED (GB) | 1998-03-17 | — | — | US | 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 |