Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.74 |
| ▸ | NPC1 | O15118 | 3/20 | 0.74 |
| ▸ | RAB9A | P51151 | 3/20 | 0.74 |
| ▸ | PKM | P14618 | 1/20 | 0.74 |
| ▸ | RHOA | P61586 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 7/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | KDM4A | O75164 | 1/20 | 0.50 |
| ▸ | KDM4B | O94953 | 1/20 | 0.50 |
| ▸ | KDM5C | P41229 | 1/20 | 0.50 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL15219362 | 0.89 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9APKMRHOA | |
| SCHEMBL19626657 | 0.89 | HPGD (0.76) | ALDH1A1NPC1RAB9APKMRHOA | |
| SCHEMBL19625479 | 0.86 | NPC1 (0.56) | ALDH1A1NPC1RAB9APKMRHOA | |
| SCHEMBL13952827 | 0.81 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9APKMRHOA | |
| SCHEMBL14318291 | 0.80 | ATP4A (0.67) | ALDH1A1NPC1RAB9APKMRHOA | |
| SCHEMBL601034 | 0.79 | HTT (0.68) | ALDH1A1NPC1RAB9AHPGDTSHR | |
| SCHEMBL1807091 | 0.79 | RHOA (0.60) | ALDH1A1NPC1RAB9APKMRHOA | |
| SCHEMBL1807329 | 0.79 | RHOA (0.60) | ALDH1A1NPC1RAB9APKMRHOA | |
| SCHEMBL14318276 | 0.79 | ATP4A (0.69) | ALDH1A1NPC1RAB9APKMRHOA | |
| SCHEMBL600251 | 0.79 | RHOA (0.57) | ALDH1A1NPC1RAB9APKMRHOA |
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-20170334912-A1 | Purine Diones As Wnt Pathway Modulators | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-11-23 | — | — | 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-20170334912-A1 | Purine Diones As Wnt Pathway Modulators | WNT1, WNT3A, CTNNB1 | ALDH1A1 1166/4885NPC1 2489/4885RAB9A 3162/4885 |
“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.