Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | PREP | P48147 | 2/20 | 0.35 |
| ▸ | SENP1 | Q9P0U3 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7064896 | 0.89 | ESR1 (0.43) | ESR1ESR2PARP1PREPSENP1 | |
| SCHEMBL4748157 | 0.80 | PARP1 (0.47) | PARP1CASP1ALDH1A1PARP10CA2 | |
| SCHEMBL4964937 | 0.78 | KIF11 (0.44) | ESR1ESR2PARP1CASP1MAPT | |
| SCHEMBL2114819 | 0.76 | HSD17B10 (0.46) | ESR1ESR2PARP1PREPSENP1 | |
| SCHEMBL27707211 | 0.74 | SENP1 (0.46) | ESR1ESR2PARP1PREPSENP1 | |
| SCHEMBL4747779 | 0.73 | CYP3A4 (0.40) | PARP1CASP1ERN1ALDH1A1MAPT | |
| SCHEMBL1987086 | 0.72 | ALDH1A1 (0.43) | ESR2PARP1KDM4EALDH1A1MAPT | |
| SCHEMBL5616609 | 0.71 | TTR (0.49) | TTRKDM4EALDH1A1CES2CES1 | |
| SCHEMBL29996262 | 0.71 | IKBKB (0.46) | DGAT1CASP1ERN1KDM4EALDH1A1 | |
| SCHEMBL2114962 | 0.71 | BCAT2 (0.52) | PARP1MMP2MMP3KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008130571-A1 | NUCLEAR RECEPTOR BINDING AGENTS | GTX, INC. (US) | 2008-10-30 | — | — | WO | disclosed |
| EP-1954670-A2 | NUCLEAR RECEPTOR BINDING AGENTS | GTX Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007062230-A2 | NUCLEAR RECEPTOR BINDING AGENTS | GTX, INC. (US) | 2007-05-31 | — | — | WO | disclosed |