Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GUSB | P08236 | 1/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 17/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.58 |
| ▸ | PGR | P06401 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | HTR2B | P41595 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11137065 | 0.81 | GUSB (0.60) | GUSBCYP19A1KDM4EALDH1A1ABCB11 | |
| SCHEMBL11425309 | 0.77 | GUSB (0.60) | GUSBCYP19A1KDM4EALDH1A1ABCB11 | |
| SCHEMBL5075124 | 0.75 | CYP19A1 (0.69) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| SCHEMBL5075123 | 0.75 | CYP19A1 (0.69) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| SCHEMBL11980206 | 0.75 | CYP19A1 (0.84) | GUSBCYP19A1KDM4EALDH1A1ABCB11 | |
| Exemestane SCHEMBL172860 | 0.74 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL6215 | 0.74 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL21698489 | 0.74 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL19452231 | 0.74 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL2233503 | 0.74 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1587818-A2 | 17-CARBAMOYLOXY CORTISOL DERIVATIVES AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004066920-A2 | 17-CARBAMOYLOXY CORTISOL DERIVATIVES AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS | MERCK & CO. INC. (US) | 2004-08-12 | — | — | WO | disclosed |