Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CISD2 | Q8N5K1 | 1/20 | 0.42 |
| ▸ | GRM6 | O15303 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | LHCGR | P22888 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL381164 | 0.80 | MAPK14 (0.52) | CISD2NPC1RAB9AMAPK14ALOX15 | |
| SCHEMBL20263505 | 0.79 | NPC1 (0.39) | CISD2GRM6SMN1; SMN2NPC1HTT | |
| SCHEMBL2434324 | 0.79 | NPC1 (0.40) | CISD2GRM6SMN1; SMN2NPC1HTT | |
| Hydrochloric Acid SCHEMBL5445499 | 0.79 | MAPK14 (0.51) | CISD2NPC1RAB9AMAPK14ALOX15 | |
| SCHEMBL244336 | 0.77 | ALOX15 (0.58) | SMN1; SMN2NPC1HTTRAB9AALOX15 | |
| Hydrochloric Acid SCHEMBL244320 | 0.76 | ALOX15 (0.56) | SMN1; SMN2NPC1HTTRAB9AALOX15 | |
| SCHEMBL7264963 | 0.75 | GRM6 (0.51) | GRM6SMN1; SMN2NPC1RAB9ALHCGR | |
| SCHEMBL14029306 | 0.74 | KDM4E (0.45) | CISD2SMN1; SMN2NPC1HTTRAB9A | |
| SCHEMBL243572 | 0.74 | KDM4E (0.42) | SMN1; SMN2NPC1RAB9AMAPK14ALOX15 | |
| SCHEMBL14507422 | 0.74 | IKBKB (0.45) | ALOX15CYP2C9ALDH1A1GAAHPGD |
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-20190010144-A1 | SMALL MOLECULE INHIBITOR OF 3-PHOSPHOGLYCERATE DEHYDROGENASE AND USES THEREOF | CORNELL UNIVERSITY | 2019-01-10 | — | — | US | disclosed |
| WO-2017117532-A1 | SMALL MOLECULE INHIBITOR OF 3-PHOSPHOGLYCERATE DEHYDROGENASE AND USES THEREOF | CANTLEY LEWIS C (US) | 2017-07-06 | — | — | 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 (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-20190010144-A1 | SMALL MOLECULE INHIBITOR OF 3-PHOSPHOGLYCERATE DEHYDROGENASE AND USES THEREOF | PHGDH, G6PD, PGD | CISD2 269/4885GRM6 1805/4885SMN1; SMN2 4245/4885 |
“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.