Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL3765110 | 0.85 | KMT2A (0.53) | ALDH1A1KMT2AMEN1TSHRGFER | |
| SCHEMBL3773930 | 0.85 | KMT2A (0.61) | ALDH1A1KMT2AMEN1NPC1TSHR | |
| SCHEMBL3774650 | 0.85 | HRH3 (0.49) | ALDH1A1HPGDTSHRHRH3 | |
| SCHEMBL3773911 | 0.83 | KMT2A (0.55) | ALDH1A1KMT2AMEN1TSHRGFER | |
| SCHEMBL3762910 | 0.82 | ALDH1A1 (0.54) | ALDH1A1HPGDKMT2ATSHRHRH3 | |
| SCHEMBL3772160 | 0.82 | KMT2A (0.49) | ALDH1A1KMT2AMEN1TSHRGFER | |
| SCHEMBL3765288 | 0.81 | HRH3 (0.53) | ALDH1A1KMT2AMEN1HRH3 | |
| SCHEMBL3768037 | 0.81 | HRH3 (0.55) | ALDH1A1HPGDTSHRHRH3 | |
| SCHEMBL3767741 | 0.81 | KDM4E (0.63) | ALDH1A1HSD17B10HPGDCYP1A2CYP3A4 | |
| SCHEMBL3767737 | 0.81 | KDM4E (0.63) | ALDH1A1HSD17B10HPGDCYP1A2CYP3A4 |
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 6 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-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 |
| 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 1210/4885HSD17B10 1328/4885HPGD 377/4885 |
“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.