Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL7781883 | 1.00 | TDP1 (0.46) | TDP1TSHRSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL31443210 | 0.93 | TDP1 (0.41) | TDP1TSHRSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL12913888 | 0.89 | TSHR (0.51) | TDP1TSHRCYP3A4HPGDCA1 | |
| SCHEMBL4957257 | 0.87 | TSHR (0.54) | TDP1TSHRALDH1A1HPGDCA1 | |
| SCHEMBL7165375 | 0.85 | TSHR (0.57) | TDP1TSHRCA1FDPS | |
| SCHEMBL8650440 | 0.85 | TSHR (0.57) | TDP1TSHRCA1FDPS | |
| SCHEMBL28840191 | 0.85 | TSHR (0.57) | TDP1TSHRCA1FDPS | |
| SCHEMBL7781880 | 0.84 | TDP1 (0.46) | TDP1TSHRALDH1A1CYP3A4MAPT | |
| SCHEMBL9283778 | 0.83 | TDP1 (0.44) | TDP1TSHRSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL31443216 | 0.83 | TSHR (0.46) | TDP1TSHRSMN1; SMN2ALDH1A1MEN1 |
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-10017481-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2018-07-10 | — | — | US | disclosed |
| US-20150051183-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2015-02-19 | — | — | 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-10017481-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | CTSE, CTSB, CTSS | TDP1 2775/4885TSHR 28/4885SMN1; SMN2 4312/4885 |
| US-20150051183-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | CTSE, CTSB, CTSS | TDP1 2775/4885TSHR 28/4885SMN1; SMN2 4312/4885 |
“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.