Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 7/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20125351 | 0.79 | SLC6A2 (0.48) | SLC6A2TAAR1LMNACYP2D6TRPA1 | |
| SCHEMBL5145167 | 0.79 | SLC6A2 (0.54) | SLC6A2TAAR1CA2CA1CA12 | |
| Ethylbenzene SCHEMBL9131401 | 0.75 | TP53 (0.58) | SLC6A2TAAR1CA2CA1CA12 | |
| SCHEMBL27611648 | 0.73 | SMN1; SMN2 (0.52) | SLC6A2TAAR1CA2CA1CA12 | |
| SCHEMBL27629698 | 0.73 | TAAR1 (0.47) | SLC6A2TAAR1CA2CA1CA9 | |
| SCHEMBL276150 | 0.72 | CA1 (0.35) | CA2CA1CA12CA7CA14 | |
| SCHEMBL9085845 | 0.72 | CA2 (0.53) | CA2CA1CA12CA7CA14 | |
| SCHEMBL4135387 | 0.72 | SLC6A2 (0.45) | SLC6A2TAAR1CA2CA1CA12 | |
| SCHEMBL9277962 | 0.71 | TAAR1 (0.60) | SLC6A2TAAR1LMNACYP2D6TRPA1 | |
| SCHEMBL11145505 | 0.71 | SLC6A2 (0.60) | SLC6A2TAAR1LMNACYP2D6TRPA1 |
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-2097385-A1 | 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | Merck & Co., Inc. (US) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008051532-A1 | 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |