Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.39 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19981797 | 0.79 | SIGMAR1 (0.41) | SIGMAR1MEN1KMT2AACHECARM1 | |
| SCHEMBL21294392 | 0.79 | SIGMAR1 (0.41) | SIGMAR1MEN1KMT2AACHECARM1 | |
| SCHEMBL19972739 | 0.79 | SIGMAR1 (0.41) | SIGMAR1MEN1KMT2AACHECARM1 | |
| SCHEMBL803898 | 0.78 | PIK3CD (0.45) | SIGMAR1MEN1KMT2AACHECARM1 | |
| SCHEMBL9277101 | 0.78 | MAPT (0.44) | SIGMAR1MEN1KMT2ACARM1PRMT6 | |
| SCHEMBL9277229 | 0.78 | MAPT (0.39) | SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL12043164 | 0.76 | MEN1 (0.46) | SIGMAR1MEN1KMT2ALMNAPOLB | |
| SCHEMBL11767283 | 0.76 | MEN1 (0.46) | SIGMAR1MEN1KMT2ALMNAPOLB | |
| SCHEMBL19981639 | 0.75 | POLB (0.41) | SIGMAR1MEN1KMT2AACHECARM1 | |
| SCHEMBL3989096 | 0.75 | SIGMAR1 (0.46) | SIGMAR1MEN1KMT2AACHECARM1 |
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-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | Research Triangle Institute, International (US) | 2019-07-24 | — | — | EP | disclosed |
| WO-2018053222-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RESEARCH TRAINGLE INSTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |