Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A2 | O00482 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27896472 | 0.95 | TRPA1 (0.38) | OPRM1OPRL1DPP4SLC18A3 | |
| SCHEMBL15465574 | 0.79 | CTSV (0.36) | NR5A2OPRM1OPRL1DPP4OPRD1 | |
| SCHEMBL15465575 | 0.79 | CTSV (0.36) | NR5A2OPRM1OPRL1DPP4OPRD1 | |
| SCHEMBL5353805 | 0.78 | TRPA1 (0.38) | OPRM1OPRL1DPP4SLC18A3 | |
| SCHEMBL28948259 | 0.73 | KMT2A (0.34) | — | |
| SCHEMBL5139043 | 0.72 | TSHR (0.43) | OPRM1OPRL1TSHROPRD1OPRK1 | |
| SCHEMBL21638945 | 0.72 | TSHR (0.43) | OPRM1OPRL1TSHROPRD1OPRK1 | |
| SCHEMBL18063164 | 0.71 | KDM4E (0.44) | OPRM1OPRD1OPRK1NPC1RAB9A | |
| SCHEMBL2237483 | 0.70 | TSHR (0.41) | OPRM1OPRL1TSHROPRD1OPRK1 | |
| SCHEMBL28201268 | 0.70 | TSHR (0.39) | NR5A2OPRM1OPRL1DPP4TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2369924-A1 | NITROOXY CYCLOALKANE DERIVATIVES | Merck Sharp & Dohme Corp. (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010062415-A1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-06-03 | — | — | WO | disclosed |