Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6888972 | 0.88 | ALDH1A1 (0.42) | ALDH1A1LMNAKMT2AKDM4EBCHE | |
| SCHEMBL2757963 | 0.79 | SLC6A2 (0.35) | ALDH1A1LMNAKMT2AKDM4E | |
| SCHEMBL1289738 | 0.77 | ALDH1A1 (0.47) | ALDH1A1LMNAKMT2AKDM4EBCHE | |
| SCHEMBL22281750 | 0.76 | PARP1 (0.35) | — | |
| SCHEMBL19526243 | 0.76 | PARP1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL1289689 | 0.74 | ALDH1A1 (0.46) | ALDH1A1LMNAKMT2AKDM4EBCHE | |
| SCHEMBL1662124 | 0.74 | THRB (0.39) | — | |
| SCHEMBL667289 | 0.73 | ALDH1A1 (0.33) | ALDH1A1LMNAKMT2AKDM4EBCHE | |
| SCHEMBL13797790 | 0.73 | — | — | |
| SCHEMBL4857880 | 0.73 | — | — |
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-8304423-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2012-11-06 | — | — | US | disclosed |
| US-20120196857-A9 | Modulators of Muscarinic Receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-02 | — | — | US | disclosed |
| US-20120004226-A1 | Modulators of Muscarinic Receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-05 | — | — | US | disclosed |
| US-8003660-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-08-23 | — | — | 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 (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-20120004226-A1 | Modulators of Muscarinic Receptors | CHRM3, CHRM5, CHRM2 | ALDH1A1 2356/4885LMNA 4093/4885KMT2A 2362/4885 |
| US-20120196857-A9 | Modulators of Muscarinic Receptors | CHRM3, CHRM5, CHRM2 | ALDH1A1 2356/4885LMNA 4093/4885KMT2A 2362/4885 |
“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.