Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | POLB | P06746 | 3/20 | 0.58 |
| ▸ | RRM1 | P23921 | 1/20 | 0.57 |
| ▸ | GCGR | P47871 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL20115634 | 1.00 | NPC1 (0.61) | NPC1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL20115428 | 0.91 | MEN1 (0.63) | NPC1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL21292852 | 0.91 | MEN1 (0.63) | NPC1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL21292804 | 0.86 | KMT2A (0.58) | SMN1; SMN2MEN1KMT2APOLBRRM1 | |
| SCHEMBL21292816 | 0.86 | KMT2A (0.58) | NPC1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL21292818 | 0.86 | KMT2A (0.58) | NPC1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL21292806 | 0.86 | KMT2A (0.58) | SMN1; SMN2MEN1KMT2APOLBRRM1 | |
| SCHEMBL20299057 | 0.86 | MEN1 (0.75) | NPC1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL20115424 | 0.86 | MEN1 (0.75) | NPC1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL14448892 | 0.84 | NTRK1 (0.72) | SMN1; SMN2MEN1KMT2APOLBRRM1 |
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-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-20190262303-A1 | D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF | UNIV BEIJING (CN) | 2019-08-29 | — | — | 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 (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 | NPC1 4801/4885SMN1; SMN2 3566/4885RAB9A 4415/4885 |
| US-20200054593-A1 | D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF | MDH2, MDH1, DLD | NPC1 4801/4885SMN1; SMN2 3566/4885RAB9A 4415/4885 |
| US-20190262303-A1 | D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF | MDH2, MDH1, DLD | NPC1 4801/4885SMN1; SMN2 3566/4885RAB9A 4415/4885 |
“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.