Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 12/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 12/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30201012 | 0.88 | MTNR1B (0.55) | MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30200879 | 0.88 | MTNR1A (0.55) | MTNR1AMTNR1BNPC1RAB9AALDH1A1 | |
| SCHEMBL30201095 | 0.85 | MTNR1A (0.52) | MTNR1AMTNR1BALDH1A1SMN1; SMN2GAA | |
| SCHEMBL30201025 | 0.82 | ALDH1A1 (0.44) | MTNR1AMTNR1BALDH1A1MAPT | |
| Xylamidine SCHEMBL31307218 | 0.82 | MTNR1A (0.58) | MTNR1AMTNR1BALDH1A1ACHE | |
| SCHEMBL30201393 | 0.78 | MTNR1A (0.48) | MTNR1AMTNR1B | |
| SCHEMBL30201042 | 0.78 | MTNR1A (0.56) | MTNR1AMTNR1BNPC1RAB9AALDH1A1 | |
| SCHEMBL30200758 | 0.77 | MTNR1A (0.47) | MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL30200979 | 0.77 | MTNR1A (0.47) | MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL30201055 | 0.77 | ALDH1A1 (0.47) | MTNR1AMTNR1BRAB9AALDH1A1MAPT |
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-2023028086-A1 | COMBINATIONS OF PERIPHERAL 5-HT2A RECEPTOR ANTAGONISTS AND CENTRAL 5-HT2A RECEPTOR AGONISTS | GILGAMESH PHARMACEUTICALS, INC. (US) | 2023-03-02 | — | — | WO | disclosed |