Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7374979 | 0.81 | — | — | |
| Catechol SCHEMBL844927 | 0.81 | LMNA (0.39) | MAPTLMNAGAAJAK2ALDH1A1 | |
| SCHEMBL9152183 | 0.74 | GAA (0.72) | MAPTLMNAGAAJAK2ALDH1A1 | |
| Methane SCHEMBL7356487 | 0.72 | GAA (0.69) | MAPTLMNAGAAJAK2ALDH1A1 | |
| Methyl Alcohol SCHEMBL1545298 | 0.69 | GAA (0.64) | MAPTLMNAGAAJAK2ALDH1A1 | |
| Alcohol SCHEMBL1545296 | 0.69 | GAA (0.64) | MAPTLMNAGAAJAK2ALDH1A1 | |
| Catechol SCHEMBL28723361 | 0.68 | ALDH1A1 (0.71) | MAPTLMNAGAAJAK2ALDH1A1 | |
| SCHEMBL8736657 | 0.68 | LMNA (0.52) | MAPTLMNAGAAJAK2ALDH1A1 | |
| SCHEMBL9150153 | 0.67 | GAA (0.67) | MAPTLMNAGAAJAK2ALDH1A1 | |
| Catechol SCHEMBL29489384 | 0.67 | ALDH1A1 (0.59) | MAPTLMNAGAAJAK2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5250720-A | Intermediates for preparing peptide boronic acid inhibitors of trypsin-like proteases | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-10-05 | — | — | US | disclosed |
| US-5242904-A | Anticoagulant, antiinflammatory | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-09-07 | — | — | US | disclosed |
| EP-0293881-B1 | PEPTIDE BORONIC ACID INHIBITORS OF TRYPSIN-LIKE PROTEASES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-10 | — | — | EP | disclosed |
| US-5187157-A | Anticoagulant, antiinflammatory agents | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-02-16 | — | — | US | disclosed |
| EP-0293881-A2 | Peptide boronic acid inhibitors of trypsin-like proteases | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1988-12-07 | — | — | EP | disclosed |