Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5728643 | 0.93 | PTGDR2 (0.51) | DRD2DRD4DRD3PTGDR2DDB1 | |
| SCHEMBL27436953 | 0.87 | PTGDR2 (0.44) | DRD2DRD4DRD3PTGDR2TAS1R3 | |
| SCHEMBL16421197 | 0.85 | CSNK2A1 (0.48) | DRD2DRD4DRD3PTGDR2KDM4C | |
| SCHEMBL30410929 | 0.85 | CSNK2A1 (0.48) | DRD2DRD4DRD3PTGDR2KDM4C | |
| SCHEMBL2946563 | 0.84 | PTGDR2 (0.42) | DRD2DRD4DRD3PTGDR2TAS1R3 | |
| Hydrochloric Acid SCHEMBL5614018 | 0.82 | PTGDR2 (0.41) | DRD2DRD4DRD3PTGDR2TAS1R3 | |
| SCHEMBL16126359 | 0.81 | PTGDR2 (0.40) | DRD2DRD4DRD3PTGDR2TAS1R3 | |
| SCHEMBL16951724 | 0.81 | PDK2 (0.46) | PTGDR2TAS1R3TAS1R1TAS1R2NPC1 | |
| SCHEMBL17679285 | 0.81 | PTGDR2 (0.40) | DRD2DRD4DRD3PTGDR2TAS1R3 | |
| SCHEMBL17682015 | 0.80 | PTGDR2 (0.42) | PTGDR2HCRTR1HCRTR2HPGDL3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160102073-A1 | 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | 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-20160102073-A1 | 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, CRHR2 | DRD2 168/4885DRD4 374/4885DRD3 267/4885 |
“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.