Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.70 |
| ▸ | DRD2 | P14416 | 2/20 | 0.58 |
| ▸ | DRD4 | P21917 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.57 |
| ▸ | MMP12 | P39900 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 4/20 | 0.50 |
| ▸ | HTR1D | P28221 | 3/20 | 0.50 |
| ▸ | HTR1B | P28222 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4272979 | 0.94 | PARP1 (0.73) | PARP1DRD2DRD4DRD3NR3C2 | |
| SCHEMBL11006154 | 0.88 | PARP1 (0.70) | PARP1DRD2DRD4DRD3NR3C2 | |
| SCHEMBL11004751 | 0.88 | PARP1 (0.70) | PARP1DRD2DRD4DRD3NR3C2 | |
| SCHEMBL11002313 | 0.87 | PARP1 (0.77) | PARP1DRD2DRD4DRD3NR3C2 | |
| SCHEMBL4258386 | 0.86 | PARP1 (0.73) | PARP1DRD2DRD4DRD3NR3C2 | |
| SCHEMBL4259329 | 0.85 | PARP1 (0.65) | PARP1DRD2DRD4DRD3NR3C2 | |
| SCHEMBL21177010 | 0.85 | PARP1 (0.79) | PARP1DRD2DRD4DRD3NR3C2 | |
| SCHEMBL21207261 | 0.84 | PARP1 (0.74) | PARP1DRD2DRD4DRD3NR3C2 | |
| SCHEMBL9244955 | 0.84 | PARP1 (0.65) | PARP1DRD2DRD4DRD3NR3C2 | |
| SCHEMBL4178404 | 0.84 | PARP1 (0.65) | PARP1DRD2DRD4DRD3NR3C2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090054417-A1 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS | IRM LLC (BM) | 2009-02-26 | — | — | US | claimed |
| JP-2008508314-A | — | — | 2008-03-21 | — | — | JP | claimed |
| EP-1778242-A2 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS | IRM LLC (BM) | 2007-05-02 | — | — | EP | claimed |
| WO-2006015259-A2 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS | IRM LLC (BM) | 2006-02-09 | — | — | WO | claimed |
| US-8669249-B2 | Poly (ADP-ribose) polymerase (PARP) inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-03-11 | — | — | US | disclosed |
| US-20120094992-A1 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-19 | — | — | US | disclosed |
| US-20090054417-A1 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS | IRM LLC (BM) | 2009-02-26 | — | — | US | disclosed |
| US-20090054417-A1 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS | IRM LLC (BM) | 2009-02-26 | — | — | US | disclosed |
| US-20090054417-A1 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS | IRM LLC (BM) | 2009-02-26 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090054417-A1 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS | NR5A1, ESRRA, NR3C1 | PARP1 4095/4885DRD2 3831/4885DRD4 3359/4885 |
| US-20120094992-A1 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | PARP1, PARP2, PARP3 | PARP1 1/4885DRD2 4579/4885DRD4 4620/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.