Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.70 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.70 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PTPRC | P08575 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27870289 | 0.98 | CYP2A6 (0.67) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL4946960 | 0.93 | CYP2A6 (0.64) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| Hydrogen Sulfide SCHEMBL27793508 | 0.88 | CYP2A6 (0.55) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL27510657 | 0.87 | CYP2A6 (0.59) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| Hydrogen Sulfide SCHEMBL27567733 | 0.86 | CYP2A6 (0.57) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL15401022 | 0.84 | CYP2A6 (0.55) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL149952 | 0.82 | CYP2A6 (1.00) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL5764637 | 0.81 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL19650162 | 0.81 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL24106775 | 0.80 | CYP2A6 (0.95) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 |
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-20030060473-A1 | Piperazine compounds as inhibitors of MMP or TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-03-27 | — | — | US | disclosed |
| US-6489324-B2 | TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-12-03 | — | — | US | disclosed |
| US-20020128270-A1 | Piperazine compounds as inhibitors of MMP or TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-09-12 | — | — | US | disclosed |
| US-6333324-B1 | FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-12-25 | — | — | US | disclosed |
| EP-0948489-A1 | PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998027069-A1 | PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-06-25 | — | — | 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-20020128270-A1 | Piperazine compounds as inhibitors of MMP or TNF | MMP1, MMP2, TNF | CYP2A6 1099/4885CYP2B6 1122/4885CYP2E1 259/4885 |
| US-20030060473-A1 | Piperazine compounds as inhibitors of MMP or TNF | MMP2, MMP1, TNF | CYP2A6 850/4885CYP2B6 840/4885CYP2E1 282/4885 |
“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.