Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10193223 | 0.80 | NR3C1 (0.44) | ALDH1A1POLBHSD17B10CYP1A2NOS3 | |
| SCHEMBL10193222 | 0.79 | ALDH1A1 (0.51) | ALDH1A1RAB9AHSD17B10MEN1TSHR | |
| SCHEMBL10193927 | 0.76 | BACE1 (0.49) | RAB9ASIRT2SIRT3SMN1; SMN2 | |
| SCHEMBL9062832 | 0.75 | NOS1 (0.68) | ALDH1A1RAB9ACYP1A2NOS3NOS1 | |
| SCHEMBL5037396 | 0.75 | ALDH1A1 (0.57) | AOC3ALDH1A1NPSR1RAB9APOLB | |
| SCHEMBL2545099 | 0.75 | ALDH1A1 (0.61) | AOC3ALDH1A1NPSR1RAB9APOLB | |
| SCHEMBL843452 | 0.73 | AOC3 (0.55) | AOC3ALDH1A1NPSR1RAB9APOLB | |
| SCHEMBL875279 | 0.73 | AOC3 (0.55) | AOC3ALDH1A1NPSR1RAB9APOLB | |
| Hydrochloric Acid SCHEMBL1127877 | 0.73 | ALDH1A1 (0.59) | AOC3ALDH1A1NPSR1RAB9APOLB | |
| SCHEMBL11868133 | 0.73 | ALDH1A1 (0.59) | ALDH1A1RAB9APOLBNR4A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2415756-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi&Co., Ltd. (JP) | 2012-02-08 | — | — | EP | disclosed |
| 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 | AOC3 2765/4885ALDH1A1 1013/4885NPSR1 1963/4885 |
“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.