Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 5/20 | 0.35 |
| ▸ | ACHE | P22303 | 5/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.34 |
| ▸ | TNKS | O95271 | 2/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL938264 | 0.79 | HTR3A (0.43) | CASP3ALDH1A1TDO2IDO2IDO1 | |
| SCHEMBL938897 | 0.62 | GLA (0.44) | ALDH1A1TDO2IDO2IDO1KDM4E | |
| SCHEMBL6951089 | 0.61 | RECQL (0.40) | ALDH1A1KDM4EHPGDPOLB | |
| SCHEMBL9919072 | 0.59 | POLB (0.55) | CASP3TDO2IDO2IDO1TYMS | |
| SCHEMBL21181720 | 0.58 | HPGD (0.47) | ALDH1A1TDO2IDO2IDO1KDM4E | |
| SCHEMBL5509709 | 0.58 | ALDH1A1 (0.70) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL15538380 | 0.58 | KDM4E (0.61) | CASP3ALDH1A1TDO2IDO2IDO1 | |
| SCHEMBL17298074 | 0.57 | TNKS2 (0.62) | CASP3PARP1TNKSTNKS2TYMS | |
| SCHEMBL15952641 | 0.57 | LMNA (0.44) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL4123057 | 0.57 | ELANE (0.70) | CASP3ALDH1A1TDO2IDO2IDO1 |
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-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-20060217377-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2006-09-28 | — | — | US | 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-20060217377-A1 | Quinazolines useful as modulators of ion channels | KCNN3, KCNN2, CACNA1I | CASP3 3133/4885ALDH1A1 3172/4885TDO2 2972/4885 |
“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.