Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15180430 | 0.93 | CES2 (0.34) | ALDH1A1SMN1; SMN2CES2CES1MAPK1 | |
| SCHEMBL124392 | 0.84 | CES2 (0.42) | ALDH1A1SMN1; SMN2CES2CES1MAPK1 | |
| SCHEMBL19360080 | 0.79 | CES2 (0.42) | ALDH1A1SMN1; SMN2CES2CES1MAPK1 | |
| SCHEMBL823811 | 0.79 | CES2 (0.42) | ALDH1A1SMN1; SMN2CES2CES1MAPK1 | |
| SCHEMBL28246325 | 0.77 | HSD17B10 (0.33) | ALDH1A1HSD17B10HPGDTP53KDM4E | |
| SCHEMBL29092856 | 0.77 | HSD17B10 (0.33) | ALDH1A1HSD17B10HPGDTP53KDM4E | |
| SCHEMBL30366477 | 0.75 | KMT2A (0.36) | SMN1; SMN2CES2CES1MAPK1TP53 | |
| SCHEMBL14470121 | 0.75 | MEN1 (0.40) | ALDH1A1SMN1; SMN2CES2CES1MAPK1 | |
| SCHEMBL6124196 | 0.75 | CES2 (0.36) | CES2CES1MAPK1TP53LMNA | |
| SCHEMBL6036813 | 0.75 | KMT2A (0.36) | SMN1; SMN2CES2CES1MAPK1TP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7354922-B2 | Bridged ring NK1 antagonists | SCHERING CORPORATION (US) | 2008-04-08 | — | — | US | disclosed |
| EP-1828188-A1 | BRIDGED RING NK1 ANTAGONISTS | SCHERING CORPORATION (US) | 2007-09-05 | — | — | EP | disclosed |
| US-20060258665-A1 | Bridged ring NK1 antagonists | SCHERING CORPORATION | 2006-11-16 | — | — | US | disclosed |
| WO-2006065654-A1 | BRIDGED RING NK1 ANTAGONISTS | SCHERING CORPORATION (US) | 2006-06-22 | — | — | 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-20060258665-A1 | Bridged ring NK1 antagonists | GRPR, BDKRB2, NPSR1 | ALDH1A1 990/4885SMN1; SMN2 4457/4885CES2 4189/4885 |
“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.