Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 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 | |
|---|---|---|---|---|
| SCHEMBL440880 | 0.85 | POLB (0.61) | POLBALDH1A1ALOX15CA12CA1 | |
| Water SCHEMBL27395300 | 0.79 | ALDH1A1 (0.68) | POLBCYP3A4CYP2C9ALOX12ALDH1A1 | |
| SCHEMBL30028907 | 0.77 | ALDH1A1 (0.72) | POLBCYP3A4CYP2C9ALOX12ALDH1A1 | |
| SCHEMBL36145 | 0.77 | ALDH1A1 (0.72) | POLBCYP3A4CYP2C9ALOX12ALDH1A1 | |
| SCHEMBL1899355 | 0.77 | POLB (0.53) | POLBCYP3A4CYP2C9ALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10888462 | 0.74 | ALDH1A1 (0.68) | POLBCYP3A4CYP2C9ALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7579852 | 0.74 | ALDH1A1 (0.68) | POLBCYP3A4CYP2C9ALOX12ALDH1A1 | |
| SCHEMBL2830888 | 0.74 | ALDH1A1 (0.68) | POLBCYP3A4CYP2C9ALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1681943 | 0.74 | ALDH1A1 (0.68) | POLBCYP3A4CYP2C9ALOX12ALDH1A1 | |
| SCHEMBL30620175 | 0.74 | ALDH1A1 (0.68) | POLBCYP3A4CYP2C9ALOX12ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6060462-A | Electrophilic peptide analogs as inhibitors of trypsin-like enzymes | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0724446-A4 | ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES | DU PONT MERCK PHARMA (US) | 1998-01-07 | — | — | EP | disclosed |
| EP-0724446-A1 | ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995009634-A1 | ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-13 | — | — | WO | disclosed |