Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 7/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | PREP | P48147 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3171815 | 0.78 | TSHR (0.49) | PREPSMN1; SMN2 | |
| SCHEMBL7111386 | 0.77 | ALDH1A1 (0.38) | CHRM1CHRM5SIGMAR1CYP3A4CYP2C9 | |
| SCHEMBL13613246 | 0.75 | HTR2C (0.48) | AGTR2HTR2CTACR3CHRM1CHRM4 | |
| SCHEMBL7646821 | 0.74 | AGTR2 (0.54) | AGTR2HTR2CTACR3PREPCYP2C19 | |
| SCHEMBL8351858 | 0.74 | AGTR2 (0.54) | AGTR2HTR2CTACR3PREPCYP2C19 | |
| SCHEMBL12798144 | 0.74 | AGTR2 (0.54) | AGTR2HTR2CTACR3PREPCYP2C19 | |
| SCHEMBL16276273 | 0.73 | HTR2C (0.49) | AGTR2HTR2CTACR3PREPCYP2C19 | |
| SCHEMBL13613244 | 0.72 | AGTR2 (0.50) | AGTR2HTR2CTACR3PREPCYP2C19 | |
| SCHEMBL13397399 | 0.72 | CASP1 (0.43) | AGTR2HTR2CTACR3CHRM1 | |
| SCHEMBL13415943 | 0.72 | CASP1 (0.43) | AGTR2HTR2CTACR3CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2270004-A1 | Caspase inhibitors and uses thereof | Vertex Pharmceuticals Incorporated (US) | 2011-01-05 | — | — | EP | disclosed |
| 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 | AGTR2 3100/4885HTR2C 3834/4885TACR3 4703/4885 |
| US-20050233979-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP3 | AGTR2 3235/4885HTR2C 3872/4885TACR3 4684/4885 |
“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.