Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10193018 | 0.80 | AOC3 (0.52) | SMN1; SMN2ALDH1A1POLBCYP1A2HSD17B10 | |
| SCHEMBL13513281 | 0.75 | ALDH1A1 (0.54) | NR3C1SMN1; SMN2ALDH1A1DRD2DRD4 | |
| SCHEMBL9062832 | 0.74 | NOS1 (0.68) | SMN1; SMN2ALDH1A1DRD3GRIN2DGRIN3B | |
| SCHEMBL843461 | 0.74 | NR3C1 (0.47) | NR3C1SMN1; SMN2ALDH1A1DRD2DRD4 | |
| SCHEMBL876253 | 0.74 | NR3C1 (0.47) | NR3C1SMN1; SMN2ALDH1A1DRD2DRD4 | |
| SCHEMBL3560306 | 0.74 | IKBKB (0.58) | NR3C1SMN1; SMN2ALDH1A1DRD2DRD4 | |
| SCHEMBL2284909 | 0.74 | HTR6 (0.64) | NR3C1SMN1; SMN2ALDH1A1DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL27533178 | 0.73 | ALDH1A1 (0.53) | NR3C1SMN1; SMN2ALDH1A1DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL2554758 | 0.72 | HTR6 (0.62) | NR3C1SMN1; SMN2ALDH1A1DRD2DRD4 | |
| SCHEMBL10192939 | 0.72 | CYP1A2 (0.57) | ALDH1A1LMNACYP3A4CYP1A2CYP2D6 |
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 | NR3C1 348/4885SMN1; SMN2 1139/4885ALDH1A1 1013/4885 |
“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.