Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 10/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8370027 | 0.77 | LMNA (0.35) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL9151978 | 0.77 | LMNA (0.35) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL7688722 | 0.76 | TP53 (0.43) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL17135012 | 0.75 | GPR84 (0.41) | — | |
| SCHEMBL27965403 | 0.75 | GPR84 (0.41) | — | |
| SCHEMBL27953954 | 0.75 | GPR84 (0.41) | — | |
| SCHEMBL27953971 | 0.70 | ALDH1A1 (0.39) | CYP1A2MAPTMAPK1 | |
| SCHEMBL7680934 | 0.70 | TP53 (0.40) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL7683311 | 0.69 | KCNH2 (0.49) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL7682944 | 0.69 | KCNH2 (0.49) | TP53CYP1A2CYP2D6MAPTCYP2C9 |
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-5557006-A | 1-Alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1996-09-17 | — | — | US | disclosed |