Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.37 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.37 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| 2-Chloropyridine SCHEMBL27910343 | 0.81 | TDP1 (0.52) | NPC1RAB9ASMN1; SMN2TP53MAPK1 | |
| SCHEMBL28702489 | 0.81 | MAPK1 (0.51) | NPC1RAB9ASMN1; SMN2TP53MAPK1 | |
| SCHEMBL25266639 | 0.79 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2TP53MAPK1 | |
| Methyl Alcohol SCHEMBL27654181 | 0.76 | — | — | |
| Quinoline SCHEMBL27627058 | 0.76 | ALDH1A1 (0.53) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| Acetic Acid SCHEMBL28281338 | 0.75 | ALDH1A1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| Tert-Butyl Formate SCHEMBL27580501 | 0.75 | TDP1 (0.46) | NPC1RAB9ASMN1; SMN2TP53MAPK1 | |
| SCHEMBL27805296 | 0.75 | LMNA (0.43) | NPC1RAB9ASMN1; SMN2MAPK1KDM4E | |
| Bicarbonate SCHEMBL28139650 | 0.74 | LMNA (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL2465547 | 0.73 | SMN1; SMN2 (0.46) | NPC1RAB9ASMN1; SMN2TP53MAPK1 |
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-101948425-A | As the compound of glucocorticoid ligands, the pharmaceutical composition that comprises them, test kit and preparation method thereof | BOEHRINGER INGELHEIM PHARMA | 2011-01-19 | — | — | CN | disclosed |
| CN-1976705-B | 1,1, 1-trifluoro-4-phenyl-4-methyl-2- (1H-pyrrolo [2,3-C ] pyridin-2-ylmethyl) pentan-2-ol derivatives and related compounds as glucocorticoid ligands for the treatment of inflammatory diseases and diabetes | BOEHRINGER INGELHEIM PHARMA | 2010-09-22 | — | — | CN | disclosed |
| CN-1976705-A | 1,1, 1-trifluoro-4-phenyl-4-methyl-2- (1H-pyrrolo [2, 3-C ] pyridin-2-ylmethyl) pentan-2-ol derivatives and related compounds as glucocorticoid ligands for the treatment of inflammatory diseases and diabetes | BOEHRINGER INGELHEIM PHARMA (US) | 2007-06-06 | — | — | CN | disclosed |