Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 6/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30620546 | 0.93 | KDM4E (0.42) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL10590809 | 0.91 | NPC1 (0.44) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL22031788 | 0.88 | PARP1 (0.54) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL30447964 | 0.87 | PARP1 (0.38) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL25436221 | 0.84 | PARP1 (0.41) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL16861395 | 0.82 | ALDH1A1 (0.50) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL16861460 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MAPTGAANOTUM | |
| SCHEMBL27695187 | 0.80 | PARP1 (0.51) | IRAK4PDK2PARP1PARP2 | |
| SCHEMBL9178779 | 0.76 | KDM4E (0.38) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL611939 | 0.76 | P2RX7 (0.43) | KDM4EALDH1A1MAPTTSHRGAA |
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 |