Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27532012 | 0.81 | CA12 (0.50) | NPC1RAB9ACYP1A2CYP2C9HPGD | |
| SCHEMBL27287168 | 0.80 | CA12 (0.49) | NPC1RAB9ACYP1A2CYP2C9HPGD | |
| SCHEMBL8772774 | 0.76 | ALDH1A1 (0.49) | NPC1RAB9ACYP1A2CYP2C9HPGD | |
| SCHEMBL7492169 | 0.76 | CA12 (0.54) | NPC1RAB9ACYP1A2HPGDSMN1; SMN2 | |
| SCHEMBL20178551 | 0.74 | CYP4F2 (0.76) | NPC1RAB9ACYP1A2CYP2C9HPGD | |
| SCHEMBL128776 | 0.74 | CA12 (0.53) | NPC1RAB9ACYP1A2SMN1; SMN2CA12 | |
| SCHEMBL9658861 | 0.74 | CA12 (0.57) | NPC1RAB9ACYP1A2SMN1; SMN2CA12 | |
| SCHEMBL8709834 | 0.74 | PTGS2 (0.36) | ESR1MAPTALDH1A1TSHR | |
| SCHEMBL8574350 | 0.74 | PTGS2 (0.36) | ESR1MAPTALDH1A1TSHR | |
| SCHEMBL7646225 | 0.74 | PTGS2 (0.36) | ESR1MAPTALDH1A1TSHR |
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-0946499-B1 | N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS | ELAN PHARM INC (US) | 2005-06-01 | — | — | EP | claimed |