Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 7/20 | 0.58 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL5234280 | 0.84 | MTNR1A (0.55) | MTNR1AMTNR1BCA2CYP2A6MPO | |
| SCHEMBL8435459 | 0.84 | MTNR1A (0.58) | MTNR1AMTNR1BCA2CYP2A6MPO | |
| SCHEMBL6985740 | 0.84 | MTNR1A (0.55) | MTNR1AMTNR1BCA2CYP2A6MPO | |
| SCHEMBL2094883 | 0.81 | MTNR1A (0.52) | MTNR1AMTNR1BCA2CYP2A6MPO | |
| SCHEMBL23612316 | 0.81 | CYP2A6 (0.41) | MTNR1AMTNR1BCYP2A6KEAP1NFE2L2 | |
| SCHEMBL8653030 | 0.81 | CYP2A6 (0.61) | MTNR1AMTNR1BCA2CYP2A6KEAP1 | |
| SCHEMBL8586113 | 0.80 | MTNR1A (0.57) | MTNR1AMTNR1BCA2CYP2A6MPO | |
| SCHEMBL8435339 | 0.80 | MTNR1A (0.61) | MTNR1AMTNR1BCA2CYP2A6MPO | |
| SCHEMBL27628031 | 0.80 | MTNR1A (0.57) | MTNR1AMTNR1BCA2CYP2A6KEAP1 | |
| Hydrochloric Acid SCHEMBL7145521 | 0.79 | MTNR1A (0.56) | MTNR1AMTNR1BCA2CYP2A6MPO |
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 |
|---|---|---|---|---|---|---|---|
| US-5763444-A | CENTRAL NERVOUS SYSTEM AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0761666-A2 | Antidepressant 1-arylalkyl-4-(alkoxypyridinyl)- or 4-(alkoxypyrimidinyl)piperazine derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-03-12 | — | — | EP | disclosed |