Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | MMP1 | P03956 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 2/20 | 0.38 |
| ▸ | FNTB | P49356 | 2/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.35 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.35 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| SCHEMBL211627 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MEN1TSHRKMT2ASIGMAR1 | |
| SCHEMBL12519920 | 0.77 | ESR2 (0.47) | ALDH1A1MEN1KMT2A | |
| SCHEMBL1329658 | 0.75 | TSHR (0.62) | ALDH1A1MEN1TSHRKMT2ASIGMAR1 | |
| SCHEMBL4472678 | 0.74 | TSHR (0.60) | ALDH1A1MEN1TSHRKMT2ASIGMAR1 | |
| SCHEMBL6783021 | 0.74 | MEN1 (0.53) | ALDH1A1MEN1TSHRKMT2ASIGMAR1 | |
| SCHEMBL6230603 | 0.74 | NAMPT (0.59) | ALDH1A1MEN1TSHRKMT2ASIGMAR1 | |
| SCHEMBL19824267 | 0.74 | MEN1 (0.48) | ALDH1A1MEN1TSHRKMT2ASIGMAR1 | |
| SCHEMBL19981882 | 0.73 | KMT2A (0.48) | MEN1TSHRKMT2ACTSLCTSB | |
| SCHEMBL19820848 | 0.73 | KMT2A (0.56) | ALDH1A1MEN1TSHRKMT2ASIGMAR1 | |
| SCHEMBL25313503 | 0.73 | ALDH1A1 (0.59) | ALDH1A1MEN1TSHRKMT2ASIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018053222-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RESEARCH TRAINGLE INSTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |