Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7677141 | 0.91 | HDAC4 (0.47) | RAB9ASMN1; SMN2HDAC4HDAC1HDAC3 | |
| SCHEMBL7677145 | 0.91 | HDAC4 (0.47) | RAB9ASMN1; SMN2HDAC4HDAC1HDAC3 | |
| SCHEMBL7677293 | 0.91 | HDAC4 (0.47) | RAB9ASMN1; SMN2HDAC4HDAC1HDAC3 | |
| SCHEMBL7671786 | 0.90 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL7680226 | 0.90 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL7671781 | 0.90 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL7674164 | 0.70 | TAS1R3 (0.43) | HDAC2 | |
| SCHEMBL7675003 | 0.70 | TAS1R3 (0.49) | HDAC2MAPK1 | |
| SCHEMBL7679570 | 0.70 | TAS1R3 (0.49) | HDAC2MAPK1 | |
| SCHEMBL7677243 | 0.70 | TAS1R3 (0.43) | HDAC2 |
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-0942923-A2 | N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS | Elan Pharmaceuticals, Inc. (US) | 1999-09-22 | — | — | EP | claimed |
| WO-1998022493-A2 | N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS | ELAN PHARMACEUTICALS, INC. (US) | 1998-05-28 | — | — | WO | claimed |