Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | F2R | P25116 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3767573 | 1.00 | PARP1 (0.43) | PARP1TDP1F2RKDM4EALDH1A1 | |
| SCHEMBL3803380 | 0.92 | C3AR1 (0.47) | PARP1TDP1F2RKDM4EALDH1A1 | |
| SCHEMBL3803381 | 0.92 | C3AR1 (0.47) | PARP1TDP1F2RKDM4EALDH1A1 | |
| SCHEMBL3767699 | 0.84 | TDP1 (0.63) | PARP1TDP1F2RKDM4EALDH1A1 | |
| SCHEMBL3767708 | 0.84 | TDP1 (0.63) | PARP1TDP1F2RKDM4EALDH1A1 | |
| SCHEMBL3767553 | 0.84 | KDM4E (0.54) | PARP1KDM4EALDH1A1MAPTL3MBTL1 | |
| SCHEMBL3767551 | 0.84 | KDM4E (0.54) | PARP1KDM4EALDH1A1MAPTL3MBTL1 | |
| SCHEMBL3769370 | 0.84 | L3MBTL1 (0.60) | PARP1TDP1F2RKDM4EALDH1A1 | |
| SCHEMBL3769364 | 0.84 | L3MBTL1 (0.60) | PARP1TDP1F2RKDM4EALDH1A1 | |
| SCHEMBL3763096 | 0.84 | APP (0.47) | PARP1F2RKDM4EALDH1A1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7851474-B2 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION (US) | 2010-12-14 | — | — | US | disclosed |
| US-7851474-B2 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION (US) | 2010-12-14 | — | — | US | disclosed |
| US-20070049571-A1 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION | 2007-03-01 | — | — | US | disclosed |
| US-20070049571-A1 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION | 2007-03-01 | — | — | US | disclosed |
| WO-2007016496-A2 | DIPIPERAZINYL KETONES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-02-08 | — | — | WO | 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-20070049571-A1 | Dipiperazinyl ketones and related analogues | HRH4, HRH3, HRH1 | PARP1 3744/4885TDP1 4483/4885F2R 265/4885 |
“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.