Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL696008 | 1.00 | ALDH1A1 (0.60) | ALDH1A1MTNR1AMTNR1BTSHRBLM | |
| SCHEMBL696007 | 1.00 | ALDH1A1 (0.60) | ALDH1A1MTNR1AMTNR1BTSHRBLM | |
| SCHEMBL697601 | 1.00 | ALDH1A1 (0.60) | ALDH1A1MTNR1AMTNR1BTSHRBLM | |
| SCHEMBL697600 | 1.00 | ALDH1A1 (0.60) | ALDH1A1MTNR1AMTNR1BTSHRBLM | |
| SCHEMBL9854677 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MTNR1AMTNR1BHTTXBP1 | |
| SCHEMBL30685627 | 0.82 | HTT (0.46) | ALDH1A1TSHRBLMTAS1R3TAS1R1 | |
| SCHEMBL30685626 | 0.82 | HTT (0.46) | ALDH1A1TSHRBLMTAS1R3TAS1R1 | |
| SCHEMBL12256771 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MTNR1AMTNR1BHTTDHODH | |
| SCHEMBL4858887 | 0.81 | ALDH1A1 (0.83) | ALDH1A1MTNR1AMTNR1BTSHRTAS1R3 | |
| SCHEMBL7270673 | 0.81 | MTNR1A (0.53) | ALDH1A1MTNR1AMTNR1BTSHRBLM |
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-4420480-A | PARKINSONISM, DEPRESSION, HYPOTENSIVES | MERCK & CO., INC. (US) | 1983-12-13 | — | — | US | disclosed |
| EP-0080115-A2 | Hexahydronaphth(1,2-b)-1,4-oxazines, process for their preparation and pharmaceutical formulation containing them | MERCK & CO. INC. (US) | 1983-06-01 | — | — | EP | disclosed |