Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6272208 | 0.90 | PDE10A (0.49) | CYP2A6CYP3A4PDE10ACYP2E1CYP2C9 | |
| SCHEMBL2834854 | 0.89 | PDE3B (0.49) | PDE10AKDM4EALDH1A1 | |
| SCHEMBL2315399 | 0.85 | HPGDS (0.53) | CYP2A6CYP3A4PDE10ACYP2E1CYP2C9 | |
| SCHEMBL2837293 | 0.83 | PDE10A (0.43) | CYP2A6PDE10ACYP2E1CYP2C9CYP2B6 | |
| SCHEMBL2315346 | 0.81 | PDE10A (0.43) | CYP2A6CYP3A4PDE10ACYP2E1CYP2C9 | |
| SCHEMBL2834338 | 0.80 | HPGDS (0.51) | CYP2A6CYP3A4PDE10ACYP2E1CYP2C9 | |
| SCHEMBL2313369 | 0.78 | NR1H2 (0.54) | CYP2A6CYP3A4CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL2837560 | 0.77 | HPGDS (0.54) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL6279050 | 0.76 | CYP2A6 (0.63) | CYP2A6CYP3A4CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL724249 | 0.76 | PDE3B (0.55) | PDE10AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2350059-B1 | MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES | CAYMAN CHEM CO (US) | 2016-03-23 | — | — | EP | disclosed |
| US-9126973-B2 | Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases | CAYMAN CHEMICAL COMPANY, INCORPORATED (US) | 2015-09-08 | — | — | US | disclosed |
| US-20150099748-A1 | MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES | CAYMAN CHEMICAL COMPANY, INCORPORATED | 2015-04-09 | — | — | US | disclosed |
| US-8536185-B2 | Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases | CAYMAN CHEMICAL COMPANY, INCORPORATED (US) | 2013-09-17 | — | — | US | disclosed |
| US-8450326-B2 | — | — | 2013-05-28 | — | — | US | disclosed |
| US-20130079375-A1 | MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES | CAYMAN CHEMICAL COMPANY, INCORPORATED (US) | 2013-03-28 | — | — | US | disclosed |
| US-20100075990-A1 | MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES | CAYMAN CHEMICAL COMPANY (US) | 2010-03-25 | — | — | 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 (3 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-20100075990-A1 | MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES | HPGDS, PTGIS, PTGES | CYP2A6 323/4885CYP3A4 964/4885PDE10A 1415/4885 |
| US-20130079375-A1 | MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES | HPGDS, PTGIS, PTGES | CYP2A6 323/4885CYP3A4 964/4885PDE10A 1415/4885 |
| US-20150099748-A1 | MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES | HPGDS, PTGIS, PTGES | CYP2A6 323/4885CYP3A4 964/4885PDE10A 1415/4885 |
“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.