Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL543226 | 1.00 | MTNR1A (0.36) | MTNR1AMTNR1BMAOAMAOBTBXAS1 | |
| SCHEMBL544065 | 0.85 | MTNR1A (0.36) | MTNR1AMTNR1BMAOAMAOBTBXAS1 | |
| SCHEMBL544064 | 0.85 | MTNR1A (0.36) | MTNR1AMTNR1BMAOAMAOBTBXAS1 | |
| SCHEMBL543544 | 0.80 | MTNR1A (0.37) | MTNR1AMTNR1BTBXAS1MEN1KMT2A | |
| SCHEMBL543545 | 0.80 | MTNR1A (0.37) | MTNR1AMTNR1BTBXAS1MEN1KMT2A | |
| SCHEMBL2779083 | 0.76 | L3MBTL1 (0.44) | MAOAMAOBADORA3ADORA2AMEN1 | |
| SCHEMBL2779086 | 0.76 | L3MBTL1 (0.44) | MAOAMAOBADORA3ADORA2AMEN1 | |
| SCHEMBL544334 | 0.75 | ALDH1A1 (0.38) | MTNR1AMTNR1BMAOAMAOBADORA2A | |
| SCHEMBL543224 | 0.73 | CA12 (0.40) | MAOBADORA3ADORA2AADORA1NPC1 | |
| SCHEMBL10257517 | 0.73 | CA12 (0.40) | MAOBADORA3ADORA2AADORA1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8110585-B2 | Bicyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-07 | — | — | US | disclosed |