Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4181140 | 0.93 | CYP1A2 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4174819 | 0.90 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4178015 | 0.86 | CYP3A4 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4186201 | 0.86 | CYP1A2 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4175494 | 0.83 | PDE5A (0.49) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4171271 | 0.81 | TUBB4A (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL4172627 | 0.80 | CYP1A2 (0.66) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4180867 | 0.80 | CYP3A4 (0.57) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4174313 | 0.79 | ALDH1A1 (0.51) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPT | |
| SCHEMBL4175497 | 0.78 | CYP1A2 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090318438-A1 | Heterocyclic compounds and their use as anticancer agents | CHEN XIAOLING | 2009-12-24 | — | — | US | disclosed |
| US-20090318438-A1 | Heterocyclic compounds and their use as anticancer agents | CHEN XIAOLING | 2009-12-24 | — | — | US | disclosed |
| US-20090318438-A1 | Heterocyclic compounds and their use as anticancer agents | CHEN XIAOLING | 2009-12-24 | — | — | US | disclosed |
| US-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2009-02-19 | — | — | US | disclosed |
| US-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2009-02-19 | — | — | US | disclosed |
| US-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2009-02-19 | — | — | US | disclosed |
| WO-2005004818-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-20 | — | — | 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 (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-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | TP53, MCL1, VHL | ALDH1A1 535/4885CYP1A2 1124/4885CYP3A4 852/4885 |
| US-20090318438-A1 | Heterocyclic compounds and their use as anticancer agents | TP53, MCL1, VHL | ALDH1A1 535/4885CYP1A2 1124/4885CYP3A4 852/4885 |
“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.