Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | RORC | P51449 | 2/20 | 0.39 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | MERTK | Q12866 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6993931 | 0.80 | PDE4A (0.41) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7002906 | 0.80 | CCNA2 (0.49) | MEN1KMT2AMAPTKDM4EHPGD | |
| SCHEMBL7003936 | 0.79 | BRD4 (0.42) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7002366 | 0.79 | ESR1 (0.52) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6995164 | 0.79 | MAPK13 (0.43) | ALDH1A1MEN1KMT2AMERTKLMNA | |
| SCHEMBL6999480 | 0.78 | ALDH1A1 (0.41) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7003811 | 0.78 | BRD4 (0.44) | ALDH1A1MEN1KMT2APDE5AMERTK | |
| SCHEMBL7003365 | 0.78 | ALDH1A1 (0.48) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7000617 | 0.73 | PDE4A (0.44) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3621787 | 0.72 | ALDH1A1 (0.67) | ALDH1A1PDE4APDE4BPDE4CPDE4D |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140938-B1 | HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF | UNIV PRINCETON (US) | 2003-08-27 | — | — | EP | disclosed |
| EP-1321467-A2 | High affinity inhibitors for target validation and uses thereof | Princeton University (US) | 2003-06-25 | — | — | EP | disclosed |
| US-20030073218-A1 | High affinity inhibitors for target validation and uses thereof | PRINCETON UNIVERSITY | 2003-04-17 | — | — | US | disclosed |
| US-6383790-B1 | PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS | PRINCETON UNIVERSITY | 2002-05-07 | — | — | US | disclosed |
| EP-1140938-A2 | HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF | Princeton University (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000042042-A2 | HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF | PRINCETON UNIVERSITY (US) | 2000-07-20 | — | — | 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-20030073218-A1 | High affinity inhibitors for target validation and uses thereof | SRC, MARCKS, TEC | ALDH1A1 4694/4885PDE4A 4310/4885PDE4B 4367/4885 |
“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.