Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.57 |
| ▸ | MITF | O75030 | 1/20 | 0.57 |
| ▸ | CCR6 | P51684 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5172535 | 1.00 | HSP90AA1 (0.57) | HSP90AA1MITFCCR6SMN1; SMN2NPC1 | |
| SCHEMBL5167773 | 0.92 | HSP90AA1 (0.49) | HSP90AA1MITFCCR6SMN1; SMN2NPC1 | |
| SCHEMBL6868097 | 0.92 | HSP90AA1 (0.49) | HSP90AA1MITFCCR6SMN1; SMN2NPC1 | |
| SCHEMBL6868242 | 0.91 | HSP90AA1 (0.48) | HSP90AA1MITFCCR6SMN1; SMN2NPC1 | |
| SCHEMBL5168451 | 0.91 | HSP90AA1 (0.48) | HSP90AA1MITFCCR6SMN1; SMN2NPC1 | |
| SCHEMBL6860694 | 0.85 | HSP90AA1 (0.56) | HSP90AA1MITFCCR6MAPTMETAP1 | |
| SCHEMBL5170296 | 0.85 | HSP90AA1 (0.56) | HSP90AA1MITFCCR6MAPTMETAP1 | |
| SCHEMBL6865063 | 0.85 | HSP90AA1 (0.56) | HSP90AA1MITFCCR6SMN1; SMN2MAPT | |
| SCHEMBL5168336 | 0.85 | HSP90AA1 (0.56) | HSP90AA1MITFCCR6SMN1; SMN2MAPT | |
| SCHEMBL6867945 | 0.83 | CCR6 (0.61) | HSP90AA1MITFCCR6NPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6815443-B2 | CARBOCYCLIC OXY AMINES SUCH AS 2-BENZYLIDENE-6-DIMETHYLAMINO METHYLCYCLOHEXANONE, USED AS ANALGESICS | GRUENENTHAL GMBH (DE) | 2004-11-09 | — | — | US | disclosed |
| US-20030220390-A1 | 5-Amino-1-pentene-3-ol substituted derivatives | GRUENENTHAL GMBH (DE) | 2003-11-27 | — | — | 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-20030220390-A1 | 5-Amino-1-pentene-3-ol substituted derivatives | ALOX5, PGA5, ANXA5 | HSP90AA1 3894/4885MITF 1595/4885CCR6 3774/4885 |
“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.