Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | GHSR known ✓ | Q92847 | 4/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 8/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL5585543 | 0.98 | ENPP2 (0.41) | ENPP2GHSRMEN1LMNAMAPT | |
| SCHEMBL5585653 | 0.97 | RAB9A (0.41) | ENPP2MEN1LMNAMAPTRAB9A | |
| SCHEMBL5585688 | 0.96 | RAB9A (0.40) | ENPP2MEN1LMNAMAPTRAB9A | |
| Hydrochloric Acid SCHEMBL5585772 | 0.96 | RAB9A (0.40) | ENPP2MEN1LMNAMAPTRAB9A | |
| Tromethamine SCHEMBL5585681 | 0.92 | ENPP2 (0.38) | ENPP2GHSRMEN1LMNAMAPT | |
| SCHEMBL5585473 | 0.90 | GHSR (0.38) | ENPP2GHSRMEN1LMNAMAPT | |
| SCHEMBL5585684 | 0.89 | PTGS2 (0.39) | ENPP2GHSRMEN1LMNAMAPT | |
| SCHEMBL5585478 | 0.88 | MRE11 (0.39) | GHSRMEN1LMNAMAPTRAB9A | |
| SCHEMBL5585757 | 0.87 | CPB1 (0.39) | MEN1LMNAMAPTRAB9AKMT2A | |
| SCHEMBL6000111 | 0.87 | CPB1 (0.39) | MEN1LMNAMAPTRAB9AKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7163952-B2 | Azole compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2007-01-16 | — | — | US | disclosed |
| US-20050065196-A1 | Azole compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-03-24 | — | — | US | disclosed |
| EP-1452530-A1 | AZOLE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-09-01 | — | — | EP | 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-20050065196-A1 | Azole compound and medicinal use thereof | PTPN7, PTPN1, PTPN5 | GHSR 299/4885ENPP2 1026/4885MEN1 3299/4885 |
“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.