Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.83 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3073937 | 0.94 | PARP1 (0.74) | PARP1CYP2D6HPGDKDM4EHSD17B10 | |
| SCHEMBL3084923 | 0.91 | PARP1 (1.00) | PARP1KDM4EHSD17B10HTR3AALDH1A1 | |
| SCHEMBL3074505 | 0.88 | PARP1 (0.83) | PARP1KDM4EHSD17B10HTR3AALDH1A1 | |
| SCHEMBL3074228 | 0.84 | PARP1 (0.62) | PARP1HPGDKDM4EALDH1A1 | |
| SCHEMBL3074379 | 0.84 | PARP1 (0.87) | PARP1POLBHPGDKDM4EHSD17B10 | |
| SCHEMBL3077205 | 0.83 | PARP1 (0.75) | PARP1HPGDKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL3338082 | 0.81 | PARP1 (0.72) | PARP1HPGDKDM4EHSD17B10HTR3A | |
| SCHEMBL6686759 | 0.79 | PARP1 (1.00) | PARP1CYP1A2CYP2D6CYP2C19POLB | |
| SCHEMBL3068637 | 0.79 | PARP1 (0.68) | PARP1HPGDKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL3082100 | 0.77 | PARP1 (0.71) | PARP1HPGDKDM4EALDH1A1 |
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 1/4885CYP1A2 1996/4885CYP2D6 2225/4885 |
“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.