Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13005268 | 0.98 | HTT (0.49) | ALDH1A1HTTHRH3MAPTCYP2C19 | |
| SCHEMBL3772438 | 0.88 | NPSR1 (0.44) | ALDH1A1HTTHRH3CYP2C19OPRM1 | |
| SCHEMBL3772583 | 0.87 | OPRL1 (0.58) | OPRM1OPRK1OPRL1OPRD1KDM4E | |
| SCHEMBL3774342 | 0.85 | NPSR1 (0.46) | ALDH1A1HTTHRH3CYP2C19OPRM1 | |
| SCHEMBL3777229 | 0.85 | KMT2A (0.60) | ALDH1A1HRH3OPRM1OPRK1OPRL1 | |
| SCHEMBL3771977 | 0.85 | OPRL1 (0.60) | OPRM1OPRK1OPRL1OPRD1KDM4E | |
| SCHEMBL3767778 | 0.81 | LMNA (0.45) | ALDH1A1HTTHRH3CYP2C19USP2 | |
| SCHEMBL3766299 | 0.81 | HRH3 (0.54) | HRH3OPRM1OPRL1MEN1KMT2A | |
| SCHEMBL3769162 | 0.80 | HTT (0.70) | ALDH1A1HTTHRH3USP2KCNH2 | |
| SCHEMBL3773341 | 0.80 | MEN1 (0.56) | ALDH1A1HTTMAPTKDM4EMEN1 |
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 2 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-20070049571-A1 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION | 2007-03-01 | — | — | 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-20070049571-A1 | Dipiperazinyl ketones and related analogues | HRH4, HRH3, HRH1 | ALDH1A1 1210/4885HTT 608/4885HRH3 2/4885 |
“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.