Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL449751 | 0.94 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAAHTT | |
| SCHEMBL448885 | 0.92 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDGAAHTT | |
| SCHEMBL452237 | 0.92 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDGAAHTT | |
| SCHEMBL449456 | 0.92 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDGAAHTT | |
| SCHEMBL448566 | 0.90 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDGAAHTT | |
| SCHEMBL449305 | 0.90 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDGAAHTT | |
| SCHEMBL449502 | 0.89 | CXCR3 (0.51) | CXCR3 | |
| SCHEMBL450532 | 0.89 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDGAAHTT | |
| SCHEMBL453829 | 0.87 | MAPT (0.48) | ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A | |
| SCHEMBL450320 | 0.87 | CXCR3 (0.53) | ALDH1A1KDM4EHPGDGAAHTT |
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-20120064025-A1 | Quinazolinone Modulators Of Nuclear Receptors | EXELIXIS, INC. (US) | 2012-03-15 | — | — | US | disclosed |
| EP-1521746-B1 | QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2011-04-27 | — | — | EP | 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-20120064025-A1 | Quinazolinone Modulators Of Nuclear Receptors | NR1H4, NR1H2, NR1H3 | ALDH1A1 3161/4885KDM4E 3717/4885HPGD 729/4885 |
“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.