Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7562014 | 0.76 | TSHR (0.41) | ALDH1A1KDM4EMAPTPOLBMEN1 | |
| SCHEMBL27796129 | 0.70 | ALDH1A1 (0.46) | ALDH1A1TDP1KDM4EMAPTPOLB | |
| SCHEMBL13550403 | 0.69 | ALDH1A1 (0.49) | ALDH1A1TDP1KDM4EMAPTPOLB | |
| SCHEMBL27775410 | 0.69 | ALDH1A1 (0.44) | ALDH1A1TDP1KDM4EMAPTPOLB | |
| SCHEMBL8189658 | 0.69 | ALDH1A1 (0.49) | ALDH1A1TDP1KDM4EMAPTPOLB | |
| SCHEMBL785696 | 0.69 | ALDH1A1 (0.49) | ALDH1A1TDP1KDM4EMAPTPOLB | |
| Hydrochloric Acid SCHEMBL6642375 | 0.68 | ALDH1A1 (0.52) | ALDH1A1TDP1KDM4EMAPTPOLB | |
| Hydrochloric Acid SCHEMBL785877 | 0.68 | ALDH1A1 (0.47) | ALDH1A1TDP1KDM4EMAPTPOLB | |
| SCHEMBL29726906 | 0.67 | ALDH1A1 (0.50) | ALDH1A1TDP1KDM4EMAPTPOLB | |
| SCHEMBL13163016 | 0.67 | CHRNB2 (0.52) | ALDH1A1TDP1KDM4EMAPTMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1252178-A1 | ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-10-30 | — | — | EP | disclosed |
| EP-1196436-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001040262-A1 | ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-06-07 | — | — | WO | disclosed |
| WO-2001002424-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-01-11 | — | — | WO | disclosed |