Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3241999 | 0.85 | ALDH1A1 (0.55) | ALDH1A1CYP3A4GFERTSHRTDP1 | |
| SCHEMBL9976791 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP3A4GFERTSHRTDP1 | |
| SCHEMBL514209 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP3A4GFERTSHRTDP1 | |
| SCHEMBL777661 | 0.76 | IDO1 (0.47) | ALDH1A1TDP1LOXL2NPC1RAB9A | |
| SCHEMBL9976775 | 0.76 | ACHE (0.54) | ALDH1A1CYP3A4GFERTSHRTDP1 | |
| SCHEMBL576610 | 0.75 | TP53 (0.43) | ALDH1A1CYP3A4TSHRMAOBNOS1 | |
| SCHEMBL3244307 | 0.74 | ALDH1A1 (0.55) | ALDH1A1CYP3A4GFERTSHRTDP1 | |
| SCHEMBL28866770 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CYP3A4GFERTSHRTDP1 | |
| SCHEMBL18893321 | 0.71 | CYP1A2 (0.73) | ALDH1A1CYP3A4LOXL2MEN1KMT2A | |
| SCHEMBL24215257 | 0.71 | IDO1 (0.52) | ALDH1A1MAOBMAPTIDO1ACHE |
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 2 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 |
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 | ALDH1A1 819/4885CYP3A4 1161/4885GFER 2899/4885 |
| US-20180105508-A1 | INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF | PHGDH, PGD, PGK1 | ALDH1A1 778/4885CYP3A4 1314/4885GFER 2931/4885 |
“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.