Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 7/20 | 0.77 |
| ▸ | MAPT | P10636 | 5/20 | 0.71 |
| ▸ | NPC1 | O15118 | 4/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.71 |
| ▸ | PKM | P14618 | 2/20 | 0.71 |
| ▸ | POLB | P06746 | 1/20 | 0.71 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.71 |
| ▸ | APEX1 | P27695 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.71 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.71 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.52 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL21292829 | 1.00 | PHGDH (0.77) | PHGDHMAPTNPC1KDM4EPKM | |
| SCHEMBL28373708 | 0.88 | KEAP1 (0.65) | PHGDHMAPTNPC1KDM4EPKM | |
| SCHEMBL28373709 | 0.88 | KEAP1 (0.65) | PHGDHMAPTNPC1KDM4EPKM | |
| SCHEMBL21292822 | 0.87 | PHGDH (1.00) | PHGDHMAPTNPC1KDM4EPKM | |
| SCHEMBL20115432 | 0.87 | PHGDH (1.00) | PHGDHMAPTNPC1KDM4EPKM | |
| SCHEMBL20115436 | 0.86 | PHGDH (1.00) | PHGDHMAPTNPC1KDM4EPKM | |
| SCHEMBL21292826 | 0.83 | KDM4E (1.00) | PHGDHMAPTNPC1KDM4EPKM | |
| SCHEMBL21292824 | 0.83 | KDM4E (1.00) | PHGDHMAPTNPC1KDM4EPKM | |
| SCHEMBL20115433 | 0.82 | PHGDH (0.80) | PHGDHMAPTNPC1KDM4EPKM | |
| SCHEMBL20115435 | 0.82 | PHGDH (0.80) | PHGDHMAPTNPC1KDM4EPKM |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10722489-B2 | D-3-phosphoglycerate dehydrogenase allosteric inhibitor and use thereof | PEKING UNIVERSITY (CN) | 2020-07-28 | — | — | US | disclosed |
| US-10722489-B2 | D-3-phosphoglycerate dehydrogenase allosteric inhibitor and use thereof | PEKING UNIVERSITY (CN) | 2020-07-28 | — | — | US | disclosed |
| US-20200054593-A1 | D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF | UNIV BEIJING (CN) | 2020-02-20 | — | — | US | disclosed |
| US-20200054593-A1 | D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF | UNIV BEIJING (CN) | 2020-02-20 | — | — | US | disclosed |
| US-20190262303-A1 | D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF | UNIV BEIJING (CN) | 2019-08-29 | — | — | US | disclosed |
| US-20190262303-A1 | D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF | UNIV BEIJING (CN) | 2019-08-29 | — | — | US | disclosed |
| WO-2018076537-A1 | D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF | 北京大学 | 2018-05-03 | — | — | WO | 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 (3 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-10722489-B2 | D-3-phosphoglycerate dehydrogenase allosteric inhibitor and use thereof | MDH2, MDH1, DLD | PHGDH 4/4885MAPT 3785/4885NPC1 4801/4885 |
| US-20200054593-A1 | D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF | MDH2, MDH1, DLD | PHGDH 4/4885MAPT 3785/4885NPC1 4801/4885 |
| US-20190262303-A1 | D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF | MDH2, MDH1, DLD | PHGDH 4/4885MAPT 3785/4885NPC1 4801/4885 |
“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.