Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | CLK1 | P49759 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19447878 | 0.76 | CYP11B2 (0.46) | CYP11B2CYP11B1TNFTRPA1CYP19A1 | |
| SCHEMBL11760855 | 0.76 | CYP11B2 (0.46) | CYP11B2CYP11B1TNFKDM4ETRPA1 | |
| SCHEMBL31586332 | 0.69 | TRPA1 (0.50) | CYP11B2CYP11B1TRPA1 | |
| SCHEMBL283346 | 0.69 | TRPA1 (0.50) | CYP11B2CYP11B1TRPA1 | |
| SCHEMBL12752942 | 0.68 | KDM4E (0.43) | TNFMAPK10KDM4EHTTPOLB | |
| SCHEMBL24592280 | 0.65 | CYP11B2 (0.49) | CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL24592357 | 0.65 | CYP11B2 (0.49) | CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL30180775 | 0.65 | TNF (0.46) | CYP11B2CYP11B1TNFMAPK10KDM4E | |
| SCHEMBL669865 | 0.65 | TNF (0.46) | CYP11B2CYP11B1TNFMAPK10KDM4E | |
| SCHEMBL672509 | 0.64 | CLK1 (0.54) | TNFMAPK10KDM4EHTTPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4054569-A | CNS DEPRESSANTS, ANTICONVULSIVES, ANTIINFLAMMATORY | AYERST MCKENNA & HARRISON LTD. (CA) | 1977-10-18 | — | — | US | disclosed |
| US-3985751-A | CNS DEPRESSANTS, ANTICONVULSANT AND ANTIINFLAMMATORY AGENTS | AYERST MCKENNA AND HARRISON LTD. (CA) | 1976-10-12 | — | — | US | disclosed |