Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | HTR1B | P28222 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20542638 | 0.98 | KDM4E (0.40) | KDM4EGAAALDH1A1HSD17B10ALOX15 | |
| SCHEMBL27290935 | 0.78 | KDM4E (0.46) | KDM4EGAAALDH1A1HSD17B10TSHR | |
| SCHEMBL12490002 | 0.78 | ALDH1A1 (0.37) | KDM4EGAAALDH1A1HSD17B10ALOX15 | |
| SCHEMBL29196014 | 0.77 | ALDH1A1 (0.38) | KDM4EALDH1A1HSD17B10ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL27880883 | 0.76 | ALDH1A1 (0.36) | KDM4EGAAALDH1A1HSD17B10ALOX15 | |
| SCHEMBL13183865 | 0.71 | KDM4E (0.41) | KDM4EGAAALDH1A1HSD17B10ELANE | |
| SCHEMBL2094693 | 0.69 | CYP2A6 (0.35) | KDM4EGAAALDH1A1HSD17B10TSHR | |
| SCHEMBL1259375 | 0.69 | ALDH1A1 (0.31) | ALDH1A1HSD17B10TSHR | |
| SCHEMBL6586906 | 0.69 | ALDH1A1 (0.39) | KDM4EALDH1A1HSD17B10TSHRMAPT | |
| SCHEMBL29364943 | 0.67 | RAB9A (0.58) | KDM4EGAAALDH1A1MAPTHPGD |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110002855-A1 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2011-01-06 | — | — | US | disclosed |
| EP-2162451-A2 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | Neurogen Corporation (US) | 2010-03-17 | — | — | EP | disclosed |
| WO-2009003003-A2 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2008-12-31 | — | — | WO | disclosed |
| EP-1537122-B9 | ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES | WYETH CORP (US) | 2007-10-31 | — | — | EP | disclosed |
| EP-1537122-B1 | ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES | WYETH CORP (US) | 2007-08-22 | — | — | EP | disclosed |
| EP-1537122-A1 | ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES | Wyeth (US) | 2005-06-08 | — | — | EP | disclosed |
| US-6800637-B2 | Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines | WYETH | 2004-10-05 | — | — | US | disclosed |
| US-20040138222-A1 | Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines | WYETH | 2004-07-15 | — | — | US | disclosed |
| WO-2004024734-A1 | ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES | WYETH (US) | 2004-03-25 | — | — | 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 (2 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-20110002855-A1 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | HRH3, HRH4, HRH1 | KDM4E 3037/4885GAA 2176/4885ALDH1A1 812/4885 |
| US-20040138222-A1 | Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines | HTR5A, TPH1, DBH | KDM4E 2275/4885GAA 908/4885ALDH1A1 364/4885 |
“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.