Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.35 |
| ▸ | PAM | P19021 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8961077 | 0.91 | NAPRT (0.34) | ALDH1A1HPGDKDM4EADRA1AHSD17B10 | |
| SCHEMBL8777017 | 0.86 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1PRKCAADRB2ADRB1 | |
| SCHEMBL8205815 | 0.84 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4EADRA1AHSD17B10 | |
| SCHEMBL8777007 | 0.82 | ALDH1A1 (0.36) | ALDH1A1HPGDKDM4EADRA1AHSD17B10 | |
| SCHEMBL8210725 | 0.82 | ALDH1A1 (0.36) | ALDH1A1HPGDKDM4EADRA1AHSD17B10 | |
| SCHEMBL8210030 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EADRA1AHSD17B10 | |
| SCHEMBL8777006 | 0.81 | KDM4E (0.35) | ALDH1A1HPGDKDM4EADRA1AHSD17B10 | |
| SCHEMBL8777020 | 0.81 | ALDH1A1 (0.36) | ALDH1A1PRKCAPRKCDHPGDKDM4E | |
| SCHEMBL8777016 | 0.79 | ALDH1A1 (0.37) | ALDH1A1PRKCAHPGDKDM4EADRA1A | |
| SCHEMBL9019779 | 0.79 | CYP3A4 (0.40) | ALDH1A1KMT2APDE3ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0693071-B1 | NEW CARBOXYLIC-ACID ESTERS OF 2-AMINO-7-(1,3-DIHYDROXY-2-PROPOXYMETHYL)PURINE, THE PREPARATION OF SUCH ESTERS AND THEIR USE | HOECHST AG (DE) | 1997-12-10 | — | — | EP | disclosed |