Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | ATF1 | P18846 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | BCR | P11274 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19145186 | 0.83 | OPRL1 (0.46) | OPRL1NR1H3NR1H2MTORATF1 | |
| SCHEMBL19105538 | 0.81 | OPRL1 (0.44) | OPRL1NR1H3NR1H2MTORATF1 | |
| SCHEMBL21768443 | 0.79 | ALDH1A1 (0.58) | MTORABL1BCRALDH1A1MAPK1 | |
| SCHEMBL20424636 | 0.78 | POLB (0.42) | OPRL1NR1H3NR1H2ABL1BCR | |
| SCHEMBL21768436 | 0.77 | OPRL1 (0.46) | OPRL1NR1H3NR1H2ATF1NFKB1 | |
| SCHEMBL26341281 | 0.75 | OPRL1 (0.40) | OPRL1MTORATF1NFKB1ALDH1A1 | |
| SCHEMBL15415745 | 0.75 | ADRB1 (0.39) | OPRL1NR1H3NR1H2MTORATF1 | |
| SCHEMBL21768428 | 0.73 | OPRM1 (0.48) | OPRL1NR1H3NR1H2ATF1NFKB1 | |
| SCHEMBL4407481 | 0.73 | PANK3 (0.39) | OPRL1MTORALDH1A1ACHECYP2C19 | |
| SCHEMBL14983697 | 0.68 | POLB (0.44) | OPRL1ALDH1A1MAPK1ACHETSHR |
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-3722284-A1 | 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2020-10-14 | — | — | EP | disclosed |
| EP-3402781-B1 | 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-03-04 | — | — | EP | disclosed |