Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CTSS | P25774 | 11/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | TACR2 | P21452 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL656123 | 0.82 | CYP3A4 (0.39) | CYP3A4CTSSHSD11B1DRD2SLC6A4 | |
| SCHEMBL652631 | 0.72 | CHRM1 (0.43) | DRD2CYP2D6OPRM1OPRL1 | |
| SCHEMBL652356 | 0.67 | DRD2 (0.46) | CYP3A4CTSSDRD2SLC6A4CYP2D6 | |
| SCHEMBL652339 | 0.65 | SIGMAR1 (0.32) | — | |
| SCHEMBL653233 | 0.65 | HRH3 (0.35) | DRD2OPRM1 | |
| SCHEMBL651462 | 0.63 | HTR1A (0.34) | DRD2 | |
| SCHEMBL654915 | 0.63 | HTR1A (0.38) | — | |
| SCHEMBL656091 | 0.62 | OPRM1 (0.43) | DRD2SLC6A4CYP2D6OPRM1OPRL1 | |
| SCHEMBL655789 | 0.62 | HTR1A (0.32) | DRD2OPRM1 | |
| SCHEMBL652691 | 0.61 | CCR1 (0.35) | OPRM1OPRL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7271176-B2 | Chemokine receptor antagonists and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-09-18 | — | — | US | disclosed |
| EP-1688418-A2 | Chemokine receptor antagonists and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-08-09 | — | — | EP | disclosed |
| US-20050070549-A1 | Chemokine receptor antagonists and methods of use thereof | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2005-03-31 | — | — | 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-20050070549-A1 | Chemokine receptor antagonists and methods of use thereof | ACKR3, CXCR2, CCL11 | CYP3A4 3651/4885CTSS 1184/4885HSD11B1 352/4885 |
“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.