Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | TLR2 | O60603 | 1/20 | 0.31 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | MGMT | P16455 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8777003 | 0.91 | ALDH1A1 (0.35) | HSD17B10KDM4EALDH1A1HPGDADRA1A | |
| SCHEMBL8205815 | 0.81 | ALDH1A1 (0.38) | CYP1A2CYP3A4HSD17B10KDM4EALDH1A1 | |
| SCHEMBL8210725 | 0.79 | ALDH1A1 (0.36) | CYP3A4HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL8210030 | 0.79 | ALDH1A1 (0.48) | CYP3A4HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL8777017 | 0.79 | ALDH1A1 (0.39) | HSD17B10KDM4EALDH1A1HPGDADRA1A | |
| SCHEMBL8777020 | 0.78 | ALDH1A1 (0.36) | HSD17B10KDM4EALDH1A1HPGDADRA1A | |
| SCHEMBL8777015 | 0.74 | PDE3A (0.40) | CYP3A4HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL8777001 | 0.74 | PDE3A (0.40) | CYP3A4HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL9019861 | 0.73 | ALDH1A1 (0.34) | CYP3A4HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL965011 | 0.73 | ALDH1A1 (0.46) | CYP3A4HSD17B10KDM4EALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0693071-A1 | NEW CARBOXYLIC-ACID ESTERS OF 2-AMINO-7-(1,3-DIHYDROXY-2-PROPOXYMETHYL)PURINE, THE PREPARATION OF SUCH ESTERS AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-01-24 | — | — | EP | disclosed |
| WO-1994024134-A1 | NEW CARBOXYLIC-ACID ESTERS OF 2-AMINO-7-(1,3-DIHYDROXY-2-PROPOXYMETHYL)PURINE, THE PREPARATION OF SUCH ESTERS AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-10-27 | — | — | WO | disclosed |