Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2992806 | 0.88 | KDM4E (0.56) | CYP1A2CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL8890863 | 0.79 | KDM4E (0.70) | CYP1A2CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL27925834 | 0.76 | KDM4E (0.66) | CYP1A2CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL3222332 | 0.75 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL6779529 | 0.74 | KDM4E (0.50) | CYP1A2CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL2125547 | 0.74 | ALDH1A1 (0.50) | CYP1A2CYP2C19CYP2D6KDM4EALDH1A1 | |
| SCHEMBL29607264 | 0.74 | KDM4E (0.50) | CYP1A2CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL27926016 | 0.74 | CYP1A2 (0.60) | CYP1A2CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL9747947 | 0.73 | PTPN22 (0.47) | — | |
| SCHEMBL2314388 | 0.73 | MEN1 (0.66) | CYP1A2CYP2C19CYP2D6MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6992215-B2 | Thiol-based NAALADase inhibitors | GUILDFORD PHARMACEUTICALS INC. (US) | 2006-01-31 | — | — | US | claimed |
| US-20050085503-A1 | Thiol-based NAALADase inhibitors | GUILFORD PHARMACEUTICALS INC, | 2005-04-21 | — | — | US | claimed |
| WO-2002057222-A9 | THIOL-BASED NAALADASE INHIBITORS | GUILFORD PHARM INC (US) | 2004-05-06 | — | — | WO | claimed |
| EP-1353903-A2 | THIOL-BASED NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 2003-10-22 | — | — | EP | claimed |
| WO-2002057222-A2 | THIOL-BASED NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 2002-07-25 | — | — | WO | claimed |
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-20050085503-A1 | Thiol-based NAALADase inhibitors | NAALAD2, GLUL, FOLH1 | CYP1A2 3789/4885CYP2C19 3664/4885CYP2D6 3651/4885 |
“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.