Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13609174 | 0.87 | TSHR (0.71) | TSHRUSP2ALDH1A1CYP2C19CA1 | |
| SCHEMBL18934271 | 0.78 | TSHR (0.46) | TSHRUSP2CA1CA2KMT2A | |
| SCHEMBL24348966 | 0.77 | CHRNB2 (0.38) | TSHRUSP2KMT2APKMMMP1 | |
| SCHEMBL24271906 | 0.77 | CHRNB2 (0.38) | TSHRUSP2KMT2APKMMMP1 | |
| SCHEMBL2877293 | 0.75 | USP2 (0.50) | TSHRUSP2ALDH1A1CYP2C19CA1 | |
| SCHEMBL13575672 | 0.74 | TSHR (0.54) | TSHRUSP2CA1CA2CA7 | |
| Iodomethane SCHEMBL16760124 | 0.74 | TSHR (0.43) | TSHRUSP2CA1CA2KMT2A | |
| SCHEMBL19188339 | 0.74 | TSHR (0.54) | TSHRUSP2CA1CA2CA7 | |
| SCHEMBL28012223 | 0.74 | TSHR (0.54) | TSHRUSP2CA1CA2CA7 | |
| SCHEMBL5892318 | 0.73 | MAPK1 (0.48) | TSHRUSP2CA2KMT2AHTT |
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-20090312540-A1 | SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES | MNK 2011 LLC (F/K/A MALLINCKRODT INC.) | 2009-12-17 | — | — | US | disclosed |
| US-7550431-B2 | Spatially-defined macrocycles incorporating peptide bond surrogates | TRANZYME PHARMA INC. (CA) | 2009-06-23 | — | — | 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-20090312540-A1 | SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES | MLNR, GIPR, GRPR | TSHR 75/4885USP2 3609/4885ALDH1A1 4537/4885 |
“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.