Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6271229 | 0.80 | NLRP3 (0.50) | NLRP3KDM4EHSD17B10ADORA3ADORA2A | |
| SCHEMBL6273478 | 0.80 | NLRP3 (0.44) | NLRP3KDM4EHSD17B10PIN1APOBEC3A | |
| SCHEMBL26631715 | 0.78 | NPC1 (0.37) | KDM4EHSD17B10POLBCYP1A2CYP2C19 | |
| SCHEMBL6261495 | 0.75 | MEN1 (0.46) | NLRP3KDM4EHSD17B10ADORA3ADORA2A | |
| SCHEMBL4921792 | 0.69 | ERCC1 (0.44) | NLRP3KDM4EADORA2AADORA2BALDH1A1 | |
| SCHEMBL6277003 | 0.68 | AGTR1 (0.40) | — | |
| SCHEMBL8678462 | 0.67 | L3MBTL1 (0.45) | KDM4EHSD17B10PIN1ALDH1A1CYP1A2 | |
| SCHEMBL5009162 | 0.67 | KDM4E (0.77) | NLRP3KDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL593363 | 0.67 | NLRP3 (0.74) | NLRP3KDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL11768659 | 0.67 | KDM4E (0.50) | KDM4EHSD17B10ADORA2AADORA2BALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005066137-A1 | 2,5-DIARYL-1H-IMIDAZOLE-4-CARBOXAMIDES AS NEUROKININ-3 RECEPTOR MODULATORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES | NEUROGEN CORPORATION (US) | 2005-07-21 | — | — | WO | disclosed |
| US-20050148601-A1 | Neurokinin-3 receptor modulators: diaryl imidazole derivatives | NEUROGEN CORPORATION | 2005-07-07 | — | — | 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-20050148601-A1 | Neurokinin-3 receptor modulators: diaryl imidazole derivatives | TACR1, TACR2, TACR3 | NLRP3 2399/4885KDM4E 2804/4885HSD17B10 3940/4885 |
“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.