Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL9869324 | 0.84 | HSPA5 (0.31) | CYP1A2RAB9AHSPA5CASP3SENP6 | |
| SCHEMBL9870823 | 0.83 | HSPA5 (0.38) | CYP1A2KDM4EALOX12HSPA5KEAP1 | |
| SCHEMBL9869699 | 0.73 | LMNA (0.41) | KDM4E | |
| SCHEMBL9752017 | 0.62 | ALDH1A1 (0.59) | KDM4EHSPA5KEAP1 | |
| SCHEMBL557812 | 0.61 | IDO1 (0.61) | KDM4ENPC1ALOX12HTTRAB9A | |
| SCHEMBL13177164 | 0.59 | L3MBTL1 (0.64) | KDM4ENPC1ALOX12HTTRAB9A | |
| SCHEMBL1835122 | 0.57 | PRKCE (0.42) | KDM4ENPC1ALOX12HTTRAB9A | |
| SCHEMBL29818600 | 0.57 | HSPA5 (0.65) | CYP1A2HTTHSPA5KEAP1 | |
| SCHEMBL28238542 | 0.56 | ALDH1A1 (0.44) | KDM4ENPC1ALOX12HTTRAB9A | |
| SCHEMBL8290932 | 0.56 | NPC1 (0.46) | KDM4ENPC1ALOX12HTTRAB9A |
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 |