Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9869706 | 0.84 | CYP1A2 (0.34) | HSPA5CYP1A2RAB9ACASP3SENP6 | |
| SCHEMBL9870823 | 0.82 | HSPA5 (0.38) | HSPA5CYP1A2 | |
| SCHEMBL9869316 | 0.74 | LMNA (0.40) | — | |
| SCHEMBL9869471 | 0.69 | BRAF (0.37) | — | |
| SCHEMBL9869116 | 0.68 | KDM4E (0.43) | CYP1A2RAB9A | |
| SCHEMBL9752017 | 0.61 | ALDH1A1 (0.59) | HSPA5 | |
| SCHEMBL8703013 | 0.57 | MPO (0.49) | HSPA5RAB9A | |
| SCHEMBL18969683 | 0.55 | EGFR (0.44) | RAB9A | |
| SCHEMBL8745956 | 0.55 | HSPA5 (0.62) | HSPA5 | |
| SCHEMBL2772333 | 0.55 | TAAR1 (0.54) | HSPA5RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5006532-A | Enzyme inhibitor; antiinflammatory agents | MERCK & CO. INC., INC. (US) | 1991-04-09 | — | — | US | disclosed |
| US-4904672-A | Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors | MERCK & CO., INC. (US) | 1990-02-27 | — | — | US | disclosed |
| US-4767766-A | Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors | MERCK & CO., INC. (US) | 1988-08-30 | — | — | US | disclosed |