Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.72 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.72 |
| ▸ | CYP8B1 | Q9UNU6 | 3/20 | 0.72 |
| ▸ | LMNA | P02545 | 3/20 | 0.72 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.72 |
| ▸ | FYN | P06241 | 2/20 | 0.72 |
| ▸ | MEN1 | O00255 | 2/20 | 0.72 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.72 |
| ▸ | MAPT | P10636 | 2/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.72 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.72 |
| ▸ | TACR1 | P25103 | 1/20 | 0.72 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.72 |
| ▸ | CCR4 | P51679 | 1/20 | 0.72 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.72 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL17739438 | 1.00 | CYP3A4 (0.72) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| SCHEMBL4152523 | 0.95 | ABCG2 (0.71) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| SCHEMBL4152531 | 0.95 | ABCG2 (0.71) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL1650334 | 0.94 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL17739437 | 0.94 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL65702 | 0.94 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL2615053 | 0.94 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL4149722 | 0.94 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Saperconazole SCHEMBL65701 | 0.94 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL12887924 | 0.94 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA |
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-20170217943-A1 | SMALL MOLECULE INHIBITORS OF FIBROSIS | THE SCRIPPS RESEARCH INSTITUTE | 2017-08-03 | — | — | US | disclosed |
| US-20170217943-A1 | SMALL MOLECULE INHIBITORS OF FIBROSIS | THE SCRIPPS RESEARCH INSTITUTE | 2017-08-03 | — | — | US | disclosed |
| US-20160130258-A1 | SMALL MOLECULE INHIBITORS OF FIBROSIS | THE SCRIPPS RESEARCH INSTITUTE | 2016-05-12 | — | — | US | disclosed |
| US-20160130258-A1 | SMALL MOLECULE INHIBITORS OF FIBROSIS | THE SCRIPPS RESEARCH INSTITUTE | 2016-05-12 | — | — | US | disclosed |
| EP-0283992-B1 | 4-[4-[4-[4-[[2-(2,4-Difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]-methoxy]phenyl]-1-piperazinyl]phenyl]triazolones | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-16 | — | — | EP | disclosed |
| EP-0283992-A2 | 4-[4-[4-[4-[[2-(2,4-Difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]-methoxy]phenyl]-1-piperazinyl]phenyl]triazolones | JANSSEN PHARMACEUTICA N.V. (BE) | 1988-09-28 | — | — | 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 (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-20160130258-A1 | SMALL MOLECULE INHIBITORS OF FIBROSIS | MMP1, COL2A1, MMP8 | CYP3A4 4660/4885ABCG2 3265/4885ABCB11 2310/4885 |
| US-20170217943-A1 | SMALL MOLECULE INHIBITORS OF FIBROSIS | MMP1, COL2A1, MMP8 | CYP3A4 4660/4885ABCG2 3265/4885ABCB11 2310/4885 |
“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.