Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.61 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.61 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.61 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | MGLL | Q99685 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | QPCT | Q16769 | 1/20 | 0.44 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL35352 | 0.85 | CYP19A1 (0.56) | CYP11B1CYP11B2CYP17A1MGLLCYP19A1 | |
| Bromide SCHEMBL916244 | 0.83 | CYP19A1 (0.54) | CYP11B1CYP11B2CYP17A1MGLLCYP19A1 | |
| Hydrochloric Acid SCHEMBL27713045 | 0.83 | CYP19A1 (0.54) | CYP11B1CYP11B2CYP17A1MGLLCYP19A1 | |
| SCHEMBL27828239 | 0.83 | CYP19A1 (0.54) | CYP11B1CYP11B2CYP17A1MGLLCYP19A1 | |
| SCHEMBL6695778 | 0.77 | MAPK1 (0.50) | CYP11B1CYP11B2CYP17A1MGLLCYP19A1 | |
| SCHEMBL2033990 | 0.77 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP17A1CYP19A1CYP2D6 | |
| SCHEMBL10878922 | 0.76 | NPC1 (0.63) | CYP11B1CYP11B2CYP19A1TAAR1HDAC6 | |
| SCHEMBL6057565 | 0.76 | HDAC1 (0.50) | CYP11B1CYP11B2CYP17A1MGLLCYP19A1 | |
| SCHEMBL15761419 | 0.75 | CYP11B1 (0.70) | CYP11B1CYP11B2 | |
| SCHEMBL15201955 | 0.74 | HDAC1 (0.48) | CYP11B1CYP11B2MGLLCYP19A1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104262228-B | Neutral endopeptidase inhibitor intermediate and preparation method thereof | 诺华股份有限公司 | 2017-01-18 | — | — | CN | disclosed |
| US-5041554-A | Replace steroids in treatment of inflammatory diseases | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-08-20 | — | — | US | disclosed |
| US-5039695-A | Method of using aryl-or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds in the treatment of interleukin-1 mediated conditions | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-08-13 | — | — | US | disclosed |