Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 5/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL30310 | 0.85 | NOS3 (0.59) | NOS3NOS2KDM4EALDH1A1MAOA | |
| SCHEMBL29385430 | 0.85 | NOS3 (0.59) | NOS3NOS2KDM4EALDH1A1MAOA | |
| Propionaldehyde SCHEMBL28255197 | 0.83 | NOS3 (0.46) | NOS3NOS2KDM4EALDH1A1MAOA | |
| SCHEMBL28258566 | 0.78 | NOS3 (0.52) | NOS3NOS2KDM4EALDH1A1MAOA | |
| SCHEMBL7650854 | 0.74 | ALDH1A1 (0.46) | NOS3NOS2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL4117558 | 0.73 | ALDH1A1 (0.51) | NOS3NOS2KDM4EALDH1A1SMN1; SMN2 | |
| Fluorene SCHEMBL17767347 | 0.72 | RAB9A (0.51) | KDM4EALDH1A1SMN1; SMN2HPGDTDP1 | |
| SCHEMBL29361631 | 0.71 | KDM4E (0.60) | NOS3NOS2KDM4EALDH1A1MAOA | |
| SCHEMBL7509399 | 0.71 | KDM4E (0.60) | NOS3NOS2KDM4EALDH1A1MAOA | |
| SCHEMBL28261433 | 0.70 | TRPA1 (0.34) | KDM4EALDH1A1SMN1; SMN2TDP1MTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108884050-A | Tetrahydroisoquinoline derivatives | UCB生物制药私人有限公司 | 2018-11-23 | — | — | CN | claimed |