Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 3/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10193165 | 0.91 | AURKA (0.48) | SMN1; SMN2NPC1RAB9AMAPTLMNA | |
| SCHEMBL10193160 | 0.90 | BACE1 (0.48) | SMN1; SMN2LMNAALDH1A1ACKR3BACE1 | |
| SCHEMBL10193854 | 0.90 | AURKA (0.52) | AURKABACE1 | |
| SCHEMBL10193271 | 0.85 | BACE1 (0.46) | SMN1; SMN2NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL10193243 | 0.84 | BACE1 (0.46) | BACE1CYP1A2 | |
| SCHEMBL25916156 | 0.83 | BACE1 (0.52) | AURKABACE1 | |
| SCHEMBL10193859 | 0.83 | BACE1 (0.52) | AURKABACE1 | |
| SCHEMBL10193841 | 0.82 | AURKA (0.52) | SMN1; SMN2AURKABACE1GAA | |
| SCHEMBL10194093 | 0.80 | BACE1 (0.42) | SMN1; SMN2NPC1RAB9ALMNAAURKA | |
| SCHEMBL10193017 | 0.77 | BACE1 (0.47) | AURKABACE1CYP1A2 |
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-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-01-19 | — | — | 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 (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-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | BACE1, BACE2, APP | SMN1; SMN2 1139/4885NPC1 435/4885RAB9A 836/4885 |
“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.