Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 2/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8727941 | 0.82 | CHRM1 (0.41) | TSHRCYP3A4NFKB1NPSR1CHRM1 | |
| SCHEMBL1782839 | 0.77 | CHRM1 (0.36) | TSHRCYP3A4NFKB1NPSR1CHRM1 | |
| SCHEMBL20854296 | 0.76 | CHRM1 (0.44) | TSHRCYP3A4NFKB1NPSR1CHRM1 | |
| Acetic Acid SCHEMBL5574320 | 0.76 | CHRM1 (0.39) | TSHRCYP3A4NFKB1NPSR1CHRM1 | |
| SCHEMBL20854183 | 0.76 | CHRM1 (0.44) | TSHRCYP3A4NFKB1NPSR1CHRM1 | |
| SCHEMBL4609302 | 0.74 | CHRM1 (0.37) | TSHRCYP3A4NFKB1NPSR1CHRM1 | |
| SCHEMBL13684296 | 0.74 | CHRM1 (0.37) | TSHRCYP3A4NFKB1NPSR1CHRM1 | |
| SCHEMBL9869598 | 0.73 | — | — | |
| SCHEMBL28936397 | 0.73 | CHRM1 (0.41) | TSHRCYP3A4NFKB1NPSR1CHRM1 | |
| SCHEMBL9767794 | 0.73 | CHRM1 (0.36) | TSHRCYP3A4NFKB1NPSR1CHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10287301-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2019-05-14 | — | — | 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 (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-10287301-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | CFD, F12, F3 | TSHR 744/4885CYP3A4 277/4885NFKB1 509/4885 |
“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.