Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 2/20 | 0.41 |
| ▸ | PREP | P48147 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | FAP | Q12884 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3181879 | 0.89 | PREP (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL3181510 | 0.88 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8288981 | 0.86 | NPC1 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8288844 | 0.85 | CASP1 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL3171830 | 0.85 | MEN1 (0.55) | MEN1KMT2ATAAR1 | |
| SCHEMBL3166523 | 0.84 | ATM (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL3182474 | 0.84 | NPC1 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL20484559 | 0.83 | CMA1 (0.55) | MEN1KMT2ATAAR1CMA1PREP | |
| SCHEMBL18620667 | 0.83 | CMA1 (0.55) | MEN1KMT2ATAAR1CMA1PREP | |
| SCHEMBL3172466 | 0.81 | CYP2C19 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 |
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-20100105914-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-29 | — | — | US | disclosed |
| US-7652153-B2 | Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, (S,S)-3-[2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-butyrylamino]-4-oxo-5-(2,3,5,6-tetrafluoro-phenoxy)-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED | 2010-01-26 | — | — | US | disclosed |
| US-20050233979-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2005-10-20 | — | — | US | 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-20100105914-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP5, CASP3 | CYP3A4 171/4885CYP2D6 756/4885CYP2C9 274/4885 |
| US-20050233979-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP3 | CYP3A4 155/4885CYP2D6 643/4885CYP2C9 227/4885 |
“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.