Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL3661871 | 0.78 | ALDH1A1 (0.45) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL8406290 | 0.77 | — | — | |
| SCHEMBL8406330 | 0.76 | DPP4 (0.32) | DPP4 | |
| SCHEMBL23374635 | 0.74 | LMNA (0.46) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL4570867 | 0.74 | LMNA (0.46) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL23374594 | 0.74 | LMNA (0.46) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL10416582 | 0.73 | LMNA (0.39) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL23183278 | 0.73 | LMNA (0.43) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL898027 | 0.72 | DPP4 (0.42) | DPP4 | |
| SCHEMBL18212440 | 0.72 | LMNA (0.42) | ALDH1A1LMNAHRH3 |
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 |