Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12259048 | 0.78 | — | — | |
| SCHEMBL972532 | 0.70 | FDPS (0.46) | TSHRALDH1A1LMNAFFAR2SMN1; SMN2 | |
| SCHEMBL12763781 | 0.69 | CYP1A2 (0.61) | CYP1A2TSHRALDH1A1CA1CA2 | |
| SCHEMBL5096038 | 0.65 | CYP1A2 (1.00) | CYP1A2TSHRALDH1A1CA1CA2 | |
| SCHEMBL6698873 | 0.64 | CYP1A2 (0.59) | CYP1A2TSHRALDH1A1CA1CA2 | |
| SCHEMBL10864267 | 0.62 | LMNA (0.34) | CYP1A2TSHRCA1CA2CA4 | |
| SCHEMBL10089552 | 0.62 | — | — | |
| SCHEMBL564354 | 0.60 | — | — | |
| SCHEMBL2474315 | 0.60 | — | — | |
| SCHEMBL31472555 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8008304-B2 | [1] 1-(3-phenyl-propiolyl)-4-(thiophen-3-yl)-piperazine; pain treatments; mGluR5 receptor regulation | Grüenthal GmbH (DE) | 2011-08-30 | — | — | US | disclosed |
| US-20080261996-A1 | Substituted propiolic acid amides and their use for producing drugs | GRUNENTHAL GMBH (DE) | 2008-10-23 | — | — | 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 (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-20080261996-A1 | Substituted propiolic acid amides and their use for producing drugs | PPARA, PCCA, PTGES | CYP1A2 156/4885TSHR 3067/4885ALDH1A1 401/4885 |
“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.