Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15558301 | 0.87 | ALOX15 (0.60) | ACHETDP1GAASMN1; SMN2LMNA | |
| SCHEMBL7537504 | 0.85 | L3MBTL1 (0.59) | ACHEGAASMN1; SMN2LMNAHTT | |
| SCHEMBL11598343 | 0.84 | TDP1 (0.51) | ACHETDP1GAATSHRSMN1; SMN2 | |
| SCHEMBL29059062 | 0.84 | TDP1 (0.51) | ACHETDP1GAATSHRSMN1; SMN2 | |
| SCHEMBL29059269 | 0.84 | TDP1 (0.51) | ACHETDP1GAATSHRSMN1; SMN2 | |
| SCHEMBL11646714 | 0.84 | TDP1 (0.51) | ACHETDP1GAATSHRSMN1; SMN2 | |
| SCHEMBL29059334 | 0.84 | HTT (0.51) | ACHETDP1GAATSHRSMN1; SMN2 | |
| SCHEMBL28570128 | 0.84 | ACHE (0.47) | ACHETDP1GAASMN1; SMN2LMNA | |
| SCHEMBL4084211 | 0.82 | ACHE (0.57) | ACHETDP1GAASMN1; SMN2LMNA | |
| SCHEMBL28243849 | 0.82 | TSHR (0.49) | ACHETDP1GAATSHRSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1196436-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-04-17 | — | — | EP | disclosed |
| US-6265445-B1 | CARDIOVASCULAR DISORDERS | GYOGYSZERKUTATO INTEZET KFT (HU) | 2001-07-24 | — | — | US | disclosed |
| WO-2001002424-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-01-11 | — | — | WO | disclosed |