Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.60 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.60 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.59 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | JAK3 | P52333 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30125381 | 0.91 | GABRA1 (0.74) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL30125376 | 0.91 | GABRA1 (0.74) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL22886423 | 0.91 | GABRA1 (0.74) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL28969556 | 0.87 | GABRA1 (0.46) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL830179 | 0.85 | NR4A2 (0.73) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL2050904 | 0.84 | GABRA1 (0.61) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL617202 | 0.84 | NR4A2 (0.70) | HPGDMEN1KMT2ANR4A2RAB9A | |
| SCHEMBL5309810 | 0.83 | NR4A2 (0.72) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL5739049 | 0.83 | GABRA1 (0.82) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL30175047 | 0.83 | ALDH1A1 (0.61) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 |
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 | GABRA1 2571/4885GABRB2 2902/4885GABRB1 2906/4885 |
“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.