Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.30 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | SORD | Q00796 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20063090 | 0.80 | NOS2 (0.52) | NOS3NOS1NOS2CCR1 | |
| SCHEMBL18489341 | 0.80 | NOS3 (0.38) | ACHENOS3NOS1NOS2HMGCR | |
| SCHEMBL4049194 | 0.80 | NOS3 (0.34) | NOS3NOS1NOS2CCR1CYP3A4 | |
| SCHEMBL4270536 | 0.78 | ACHE (0.52) | ACHERECQLCCR1TSHR | |
| SCHEMBL15274618 | 0.76 | NOS2 (0.38) | NOS3NOS1NOS2KDM5BCCR1 | |
| SCHEMBL20063087 | 0.76 | MAPT (0.35) | ACHENOS3NOS1NOS2HMGCR | |
| SCHEMBL3506786 | 0.74 | HRH3 (0.42) | NOS3NOS1NOS2 | |
| SCHEMBL20072601 | 0.72 | ACHE (0.42) | ACHENOS3NOS2KDM5BRECQL | |
| SCHEMBL11030024 | 0.72 | ACHE (0.42) | ACHERECQLCCR1SORD | |
| SCHEMBL5102672 | 0.72 | RECQL (0.52) | NOS3NOS1NOS2KDM5BRECQL |
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-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 (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-20180105508-A1 | INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF | PHGDH, PGD, PGK1 | ACHE 2915/4885NOS3 2532/4885NOS1 2516/4885 |
“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.