Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.54 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.54 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.54 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | ITK | Q08881 | 7/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3056696 | 0.88 | CASP3 (0.55) | CASP3SENP8SENP7SENP6PPARG | |
| SCHEMBL2683121 | 0.87 | CASP3 (0.47) | CASP3SENP8SENP7SENP6PPARG | |
| SCHEMBL3058848 | 0.81 | CASP3 (0.51) | CASP3SENP8SENP7SENP6PPARG | |
| SCHEMBL3047750 | 0.79 | CASP3 (0.52) | CASP3SENP8SENP7SENP6CHEK2 | |
| SCHEMBL5026628 | 0.79 | CASP3 (0.52) | CASP3SENP8SENP7SENP6CHEK2 | |
| SCHEMBL3704691 | 0.72 | CASP3 (1.00) | CASP3SENP8SENP7SENP6PPARG | |
| SCHEMBL29941485 | 0.72 | CASP3 (1.00) | CASP3SENP8SENP7SENP6PPARG | |
| SCHEMBL5443742 | 0.70 | CASP3 (0.77) | CASP3SENP8SENP7SENP6PPARG | |
| SCHEMBL30344399 | 0.70 | CASP3 (0.77) | CASP3SENP8SENP7SENP6PPARG | |
| SCHEMBL16904651 | 0.69 | MAPT (0.68) | NPC1RAB9AMEN1ALDH1A1MAPT |
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-8404728-B2 | Small-molecule botulinum toxin inhibitors | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2013-03-26 | — | — | US | disclosed |
| US-20120114696-A1 | SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS | US ARMY, SECRETARY OF THE ARMY | 2012-05-10 | — | — | 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-20120114696-A1 | SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS | BTD, BCHE, ACHE | CASP3 2001/4885SENP8 1042/4885SENP7 1546/4885 |
“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.