Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PDE2A | O00408 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27388289 | 0.85 | L3MBTL1 (0.40) | L3MBTL1ALDH1A1PDE2ANOS1NOS2 | |
| SCHEMBL27980103 | 0.77 | PDE2A (0.41) | L3MBTL1ALDH1A1PDE2ANOS1NOS2 | |
| SCHEMBL28312537 | 0.77 | L3MBTL1 (0.40) | L3MBTL1ALDH1A1PDE2ANOS1NOS2 | |
| SCHEMBL379312 | 0.77 | L3MBTL1 (0.40) | L3MBTL1ALDH1A1PDE2ANOS1NOS2 | |
| SCHEMBL13230306 | 0.77 | L3MBTL1 (0.40) | L3MBTL1ALDH1A1PDE2ANOS1NOS2 | |
| SCHEMBL27599893 | 0.76 | POLB (0.45) | L3MBTL1ALDH1A1LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL27922247 | 0.75 | KDM4E (0.41) | ALDH1A1LMNASMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL3401912 | 0.75 | ALDH1A1 (0.56) | L3MBTL1ALDH1A1PDE2ACYP1A1CYP1B1 | |
| SCHEMBL27700517 | 0.74 | NOS3 (0.54) | L3MBTL1ALDH1A1PDE2ANOS1NOS2 | |
| SCHEMBL10180543 | 0.73 | RECQL (0.38) | L3MBTL1ALDH1A1PDE2ANOS1NOS2 |
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-103380130-A | Novel pyrazole and imidazole derivatives useful as orexin antagonists | ACTELION PHARMACEUTICALS LTD | 2013-10-30 | — | — | CN | disclosed |