Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.54 |
| ▸ | HTR3A | P46098 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3339735 | 0.91 | PARP1 (0.48) | PARP1HTR3AALDH1A1LMNAHTT | |
| Trifluoroacetic Acid SCHEMBL3343890 | 0.88 | PARP1 (0.54) | PARP1HTR3AKMT2APOLBCD274 | |
| Trifluoroacetic Acid SCHEMBL3339025 | 0.77 | POLB (0.51) | PARP1POLBALDH1A1HTR1ALMNA | |
| SCHEMBL3340742 | 0.75 | ACHE (0.57) | — | |
| SCHEMBL3344406 | 0.73 | PARP1 (0.83) | PARP1HTR3APOLBCD274ALDH1A1 | |
| SCHEMBL3344069 | 0.71 | PARP1 (0.42) | PARP1 | |
| SCHEMBL3337044 | 0.71 | MEN1 (0.55) | KMT2APOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL6686759 | 0.70 | PARP1 (1.00) | PARP1HTR3APOLBCD274ALDH1A1 | |
| SCHEMBL6689801 | 0.70 | PARP1 (1.00) | PARP1HTR3AKMT2APOLBCD274 | |
| SCHEMBL3073937 | 0.69 | PARP1 (0.74) | PARP1HTR3AKMT2AALDH1A1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100152180-A1 | 4-oxo-4,5-dihydropyrrolo[1,2-A)quinoxaline derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2010-06-17 | — | — | 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 (1 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-20100152180-A1 | 4-oxo-4,5-dihydropyrrolo[1,2-A)quinoxaline derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) | PARP1, PARP2, PARP4 | PARP1 1/4885HTR3A 1648/4885KMT2A 2729/4885 |
“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.