Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3545056 | 1.00 | CA1 (0.53) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL13547256 | 1.00 | CA1 (0.53) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL7189854 | 0.83 | CA1 (0.49) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL7195232 | 0.83 | CA1 (0.49) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL7195228 | 0.83 | CA1 (0.49) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL7189861 | 0.83 | CA1 (0.49) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL7190391 | 0.82 | CA1 (0.54) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL5229745 | 0.82 | CA1 (0.54) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL3557233 | 0.82 | CA1 (0.54) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL15314133 | 0.80 | SLC6A4 (0.56) | IDO1AGXTSLC6A4L3MBTL1ALDH1A1 |
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-7645782-B2 | Thia-epothilone derivatives for the treatment of cancer | Richter, Wolfgang (DE) | 2010-01-12 | — | — | US | disclosed |
| US-7553859-B2 | Macrocycles for the treatment of cancer | Richter, Wolfgang (DE) | 2009-06-30 | — | — | US | disclosed |
| US-20060128966-A1 | Thia-epothilone derivatives for the treatment of cancer | MORPHONCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) | 2006-06-15 | — | — | US | disclosed |
| US-20060004065-A1 | Novel macrocycles for the treatment of cancer | WOLFGANG RICHTER (DE) | 2006-01-05 | — | — | 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-20060128966-A1 | Thia-epothilone derivatives for the treatment of cancer | TTPA, THPO, TERT | CA1 4725/4885CA2 4710/4885IDO1 2992/4885 |
| US-20060004065-A1 | Novel macrocycles for the treatment of cancer | CCNI, CCNB1, CCNC | CA1 3681/4885CA2 3910/4885IDO1 4289/4885 |
“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.