Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.59 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | F7 | P08709 | 1/20 | 0.55 |
| ▸ | F3 | P13726 | 1/20 | 0.55 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | APEX1 | P27695 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | DAO | P14920 | 1/20 | 0.51 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3640951 | 0.88 | PIN1 (0.54) | PIN1SMAD3KDM4EHSD17B10HPGD | |
| SCHEMBL4137392 | 0.85 | CDK8 (0.51) | PIN1SMAD3KDM4EHSD17B10HPGD | |
| SCHEMBL29415437 | 0.83 | SMAD3 (0.68) | PIN1SMAD3KDM4EHSD17B10HPGD | |
| SCHEMBL1842307 | 0.83 | SMAD3 (0.68) | PIN1SMAD3KDM4EHSD17B10HPGD | |
| SCHEMBL1734329 | 0.82 | PIN1 (0.65) | PIN1SMAD3KDM4EHSD17B10HPGD | |
| SCHEMBL8204182 | 0.82 | NHERF1 (0.60) | PIN1SMAD3KDM4EHSD17B10HPGD | |
| SCHEMBL5679885 | 0.82 | ITGB3 (0.51) | PIN1SMAD3KDM4EHSD17B10HPGD | |
| SCHEMBL3240597 | 0.81 | HRH3 (0.59) | PIN1SMAD3KDM4EHSD17B10HPGD | |
| SCHEMBL26207780 | 0.80 | PIN1 (0.58) | PIN1SMAD3KDM4EHSD17B10HPGD | |
| SCHEMBL3642463 | 0.80 | ALOX15 (0.52) | PIN1SMAD3KDM4EHSD17B10HPGD |
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 | PIN1 1289/4885SMAD3 2119/4885KDM4E 1508/4885 |
“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.