Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4368833 | 0.83 | ALDH1A1 (0.44) | CASP3ALDH1A1CA9CA12POLB | |
| SCHEMBL10496308 | 0.83 | CASP3 (0.41) | CASP3ALDH1A1CA9CA12POLB | |
| SCHEMBL30472938 | 0.81 | CASP3 (0.46) | CASP3ALDH1A1POLBMEN1NPC1 | |
| SCHEMBL2156119 | 0.81 | CASP3 (0.46) | CASP3ALDH1A1POLBMEN1NPC1 | |
| SCHEMBL5706500 | 0.78 | CA12 (0.47) | CASP3ALDH1A1CA9CA12POLB | |
| SCHEMBL28078141 | 0.78 | ALDH1A1 (0.41) | CASP3ALDH1A1CA9CA12MEN1 | |
| SCHEMBL28814233 | 0.78 | ALDH1A1 (0.41) | CASP3ALDH1A1CA9CA12MEN1 | |
| SCHEMBL19067757 | 0.77 | CASP3 (0.43) | CASP3ALDH1A1CA9CA12POLB | |
| SCHEMBL28110900 | 0.77 | CASP3 (0.43) | CASP3ALDH1A1POLBMEN1KMT2A | |
| SCHEMBL3275912 | 0.77 | CASP3 (0.43) | CASP3ALDH1A1POLBMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8674113-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-03-18 | — | — | US | disclosed |
| US-8466186-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-18 | — | — | US | disclosed |
| US-20120309738-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-06 | — | — | US | disclosed |
| US-20120149676-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-14 | — | — | 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-20120309738-A1 | NOVEL COMPOUNDS | PTGER1, PTGS1, PTGES | CASP3 3447/4885ALDH1A1 140/4885CA9 2598/4885 |
| US-20120149676-A1 | NOVEL COMPOUNDS | PTGS1, PTGER1, PTGES | CASP3 3536/4885ALDH1A1 126/4885CA9 2277/4885 |
“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.