Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29411198 | 0.92 | — | — | |
| SCHEMBL16841 | 0.92 | — | — | |
| Formaldehyde SCHEMBL27841183 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4EADRA2AADRA2BADRA2C | |
| Formic Acid SCHEMBL28300164 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4EADRA2AADRA2BADRA2C | |
| Hexane SCHEMBL28095543 | 0.77 | RAB9A (0.49) | ALDH1A1KDM4EADRA2AADRA2BADRA2C | |
| Cyanide SCHEMBL28309094 | 0.75 | NOS3 (0.44) | ALDH1A1KDM4EADRA2AADRA2BADRA2C | |
| SCHEMBL16520501 | 0.74 | NPC1 (0.54) | ALDH1A1KDM4ECHRNB2CHRNA4CYP2A6 | |
| SCHEMBL9035328 | 0.72 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPT | |
| SCHEMBL29740319 | 0.71 | CYP19A1 (0.44) | ALDH1A1KDM4ECHRNB2CHRNA4CYP2A6 | |
| SCHEMBL11406306 | 0.70 | — | — |
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-109963843-A | Carbamoyloxymethyltriazolylcyclohexanes as LPA antagonists | 百时美施贵宝公司 | 2019-07-02 | — | — | CN | disclosed |