Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9262464 | 0.86 | ALDH1A1 (0.39) | ALDH1A1HTTSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL6517744 | 0.79 | FOLH1 (0.38) | ALDH1A1HTTSMN1; SMN2CYP2C19MEN1 | |
| SCHEMBL11941052 | 0.79 | SMN1; SMN2 (0.49) | ALDH1A1HTTSMN1; SMN2LMNA | |
| SCHEMBL5604860 | 0.79 | NCF1 (0.44) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL6517254 | 0.79 | CHRNB4 (0.45) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL8022584 | 0.79 | ALDH1A1 (0.37) | ALDH1A1HTTSMN1; SMN2CYP2C19MEN1 | |
| SCHEMBL9281772 | 0.76 | TDP1 (0.41) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL6513632 | 0.76 | HTT (0.36) | ALDH1A1HTTSMN1; SMN2CYP2C19MEN1 | |
| SCHEMBL3648046 | 0.75 | ALDH1A1 (0.38) | ALDH1A1HTTSMN1; SMN2CYP2C19MEN1 | |
| SCHEMBL10665720 | 0.75 | HTT (0.35) | ALDH1A1HTTSMN1; SMN2CYP2C19MEN1 |
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-20050026987-A1 | CBI analogues of the duocarmycins and CC-1065 | THE SCRIPPS RESEARCH INSTITUTE (US) | 2005-02-03 | — | — | US | disclosed |
| WO-2004101767-A2 | CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 | THE SCRIPPS RESEARCH INSTITUTE (US) | 2004-11-25 | — | — | WO | 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-20050026987-A1 | CBI analogues of the duocarmycins and CC-1065 | CCNI, SP1, DCK | ALDH1A1 4597/4885HTT 4169/4885SMN1; SMN2 3167/4885 |
“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.