Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 6/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL9869425 | 0.87 | CYP11B1 (0.48) | CYP11B1CYP11B2CYP19A1CYP2C9FTO | |
| SCHEMBL29670400 | 0.82 | FTO (0.48) | CYP11B1CYP11B2CYP19A1CYP2C9FTO | |
| SCHEMBL9869588 | 0.82 | CYP11B1 (0.45) | CYP11B1CYP11B2FTOKDM4ELMNA | |
| SCHEMBL27585500 | 0.77 | CYP11B1 (0.51) | CYP11B1CYP11B2CYP19A1CYP2C9FTO | |
| SCHEMBL24768169 | 0.77 | LTA4H (0.59) | CYP11B1CYP11B2CYP19A1CYP2C9FTO | |
| SCHEMBL7837599 | 0.76 | CYP11B1 (0.50) | CYP11B1CYP11B2CYP19A1CYP2C9FTO | |
| SCHEMBL9868800 | 0.75 | KDM6B (0.41) | CYP11B1CYP11B2FTOKDM4ELMNA | |
| SCHEMBL1023958 | 0.73 | KDM4C (0.42) | KDM4EALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL27924299 | 0.70 | CYP17A1 (0.67) | CYP19A1CYP2C9LTA4HKDM4EALDH1A1 | |
| SCHEMBL10773940 | 0.70 | KDM4C (0.41) | CYP2C9KDM4EALDH1A1LMNAMAPT |
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 |