Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.51 |
| ▸ | DPP4 | P27487 | 3/20 | 0.46 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PER2 | O15055 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9683077 | 0.88 | GAA (0.46) | PIK3CDDPP4DPP8TSHRPER2 | |
| SCHEMBL9684767 | 0.83 | PIK3CD (0.51) | PIK3CDDPP4DPP8TSHRGAA | |
| SCHEMBL9683071 | 0.83 | PIK3CD (0.51) | PIK3CDDPP4DPP8TSHRGAA | |
| SCHEMBL11670310 | 0.80 | PIK3CD (0.47) | PIK3CDTSHRKMT2AMAPK1MEN1 | |
| SCHEMBL8234472 | 0.79 | PIK3CD (0.63) | PIK3CDDPP4DPP8TSHRPER2 | |
| SCHEMBL13502989 | 0.79 | PIK3CD (0.50) | PIK3CDDPP4DPP8TSHRPER2 | |
| SCHEMBL31021598 | 0.77 | PIK3CD (0.61) | PIK3CDDPP4DPP8TSHRPER2 | |
| SCHEMBL21294384 | 0.76 | PIK3CD (0.59) | PIK3CDDPP4DPP8TSHRPER2 | |
| SCHEMBL21009232 | 0.76 | PIK3CD (0.65) | PIK3CDTSHRPER2GAACYP2C19 | |
| SCHEMBL8244788 | 0.76 | PIK3CD (0.59) | PIK3CDDPP4DPP8TSHRPER2 |
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-3512832-B1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RES TRIANGLE INST (US) | 2021-05-19 | — | — | EP | disclosed |
| WO-2018053222-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RESEARCH TRAINGLE INSTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |