Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Piperazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | BLM | P54132 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.41 |
| ▸ | CASP7 | P55210 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL162083 | 0.87 | TAAR1 (0.62) | TAAR1KDM4EALDH1A1HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL8104290 | 0.84 | TAAR1 (0.60) | TAAR1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL11073018 | 0.84 | TAAR1 (0.60) | TAAR1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL7404185 | 0.82 | TAAR1 (0.64) | TAAR1KDM4EALDH1A1HSD17B10HPGD | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL28985610 | 0.79 | PNMT (0.59) | TAAR1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL244155 | 0.79 | — | — | |
| SCHEMBL28323221 | 0.77 | TAAR1 (0.62) | TAAR1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL394300 | 0.77 | TAAR1 (0.76) | TAAR1KDM4EALDH1A1HSD17B10HPGD | |
| Aniline SCHEMBL2657203 | 0.75 | TAAR1 (0.73) | TAAR1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL29353084 | 0.75 | TAAR1 (0.50) | TAAR1KDM4EALDH1A1HSD17B10HPGD |
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-7649015-B2 | Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2010-01-19 | — | — | US | disclosed |
| US-20070010489-A1 | Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds | GILEAD SCIENCES, INC. | 2007-01-11 | — | — | US | disclosed |
| EP-1711617-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005064008-A9 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES INC (US) | 2006-09-28 | — | — | WO | disclosed |
| US-20050239054-A1 | Method and compositions for identifying anti-HIV therapeutic compounds | GILEAD SCIENCES. INC. | 2005-10-27 | — | — | US | disclosed |
| US-20050209197-A1 | Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds | GILEAD SCIENCES, INC. | 2005-09-22 | — | — | US | disclosed |
| WO-2005064008-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-07-14 | — | — | WO | disclosed |
| EP-1509537-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003090690-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | 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 (3 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-20050209197-A1 | Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds | PPA1, PPME1, PNP | ESR1 4373/4885TAAR1 4747/4885KDM4E 3407/4885 |
| US-20050239054-A1 | Method and compositions for identifying anti-HIV therapeutic compounds | CES1, PNP, PGLS | ESR1 1531/4885TAAR1 4729/4885KDM4E 1006/4885 |
| US-20070010489-A1 | Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds | PPA1, PNP, PPME1 | ESR1 4405/4885TAAR1 4780/4885KDM4E 3256/4885 |
“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.