Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | HRH2 | P25021 | 3/20 | 0.40 |
| ▸ | HRH1 | P35367 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25874636 | 0.84 | MAPT (0.39) | CYP1A2CYP2D6HRH4MAPK1KDM4E | |
| SCHEMBL12208495 | 0.84 | MAPK1 (0.56) | CYP1A2CYP2D6HRH4MAPK1DRD2 | |
| SCHEMBL25671325 | 0.84 | MAPK1 (0.46) | CYP1A2CYP2D6HRH4MAPK1DRD2 | |
| SCHEMBL10990205 | 0.83 | CYP1A2 (0.49) | CYP1A2CYP2D6HRH4MAPK1DRD2 | |
| SCHEMBL1773258 | 0.75 | MAPK1 (0.67) | CYP1A2CYP2D6HRH4MAPK1DRD2 | |
| SCHEMBL5438458 | 0.74 | CYP1A2 (0.55) | CYP1A2CYP2D6HRH4MAPK1DRD2 | |
| SCHEMBL18085896 | 0.74 | HDAC3 (0.56) | CYP1A2CYP2D6HRH4MAPK1DRD2 | |
| SCHEMBL1772873 | 0.71 | CYP1A2 (0.60) | CYP1A2CYP2D6HRH4MAPK1DRD2 | |
| SCHEMBL10059990 | 0.71 | CYP1A2 (1.00) | CYP1A2CYP2D6HRH4MAPK1DRD2 | |
| SCHEMBL311434 | 0.71 | CYP1A2 (0.60) | CYP1A2CYP2D6HRH4MAPK1DRD2 |
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-11225469-B2 | Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2022-01-18 | — | — | US | disclosed |
| US-20180105508-A1 | INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2018-04-19 | — | — | US | disclosed |
| US-20180105508-A1 | INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2018-04-19 | — | — | 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 (2 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-11225469-B2 | Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof | PHGDH, PGD, PGK1 | CYP1A2 1301/4885CYP2D6 429/4885HRH4 201/4885 |
| US-20180105508-A1 | INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF | PHGDH, PGD, PGK1 | CYP1A2 1449/4885CYP2D6 564/4885HRH4 216/4885 |
“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.