Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | MAP2K2 | P36507 | 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 | |
|---|---|---|---|---|
| SCHEMBL7243544 | 0.76 | EPHX1 (0.57) | EPHX1ALDH1A1CYP3A4HSD17B10HTR2A | |
| SCHEMBL8779782 | 0.74 | EPHX1 (0.50) | EPHX1ALDH1A1CYP3A4HSD17B10BACE1 | |
| SCHEMBL5272958 | 0.74 | EPHX1 (0.59) | EPHX1ALDH1A1CYP3A4HSD17B10HTR2A | |
| SCHEMBL30484476 | 0.71 | EPHX1 (0.47) | EPHX1ALDH1A1CYP3A4HSD17B10BACE1 | |
| SCHEMBL22446622 | 0.71 | EPHX1 (0.56) | EPHX1ALDH1A1CYP3A4HSD17B10HTR2A | |
| SCHEMBL4640609 | 0.71 | EPHX1 (0.61) | EPHX1CYP3A4HTR2AHTR2CHTR2B | |
| SCHEMBL32662877 | 0.71 | EPHX1 (0.61) | EPHX1CYP3A4HTR2AHTR2CHTR2B | |
| SCHEMBL30484473 | 0.71 | EPHX1 (0.47) | EPHX1ALDH1A1CYP3A4HSD17B10BACE1 | |
| SCHEMBL1747933 | 0.70 | CYP2A6 (0.44) | EPHX1ALDH1A1CYP3A4HSD17B10LMNA | |
| SCHEMBL6245756 | 0.70 | ALDH1A1 (0.50) | EPHX1ALDH1A1CYP3A4HSD17B10LMNA |
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-1340744-A2 | Hiv protease inhibitors | Agouron Pharmaceuticals, Inc. (US) | 2003-09-03 | — | — | EP | disclosed |
| WO-1995009843-A1 | HIV PROTEASE INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 1995-04-13 | — | — | WO | disclosed |