Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 4/20 | 0.77 |
| ▸ | NPC1 | O15118 | 1/20 | 0.77 |
| ▸ | MTOR | P42345 | 1/20 | 0.77 |
| ▸ | RAB9A | P51151 | 1/20 | 0.77 |
| ▸ | FBP1 | P09467 | 12/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | ABL2 | P42684 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL30577771 | 0.87 | NPC1 (1.00) | VCPNPC1MTORRAB9AFBP1 | |
| SCHEMBL744716 | 0.87 | NPC1 (1.00) | VCPNPC1MTORRAB9AFBP1 | |
| SCHEMBL4997484 | 0.87 | VCP (0.82) | VCPNPC1MTORRAB9AFBP1 | |
| SCHEMBL2742581 | 0.87 | VCP (0.82) | VCPNPC1MTORRAB9AFBP1 | |
| SCHEMBL16211885 | 0.87 | NPC1 (1.00) | VCPNPC1MTORRAB9AFBP1 | |
| SCHEMBL744717 | 0.87 | NPC1 (1.00) | VCPNPC1MTORRAB9AFBP1 | |
| Piperonal SCHEMBL6073058 | 0.82 | NPC1 (0.88) | VCPNPC1MTORRAB9AFBP1 | |
| Piperonal SCHEMBL6073053 | 0.82 | NPC1 (0.88) | VCPNPC1MTORRAB9AFBP1 | |
| SCHEMBL789047 | 0.75 | MAPT (0.47) | NPC1RAB9APTPN1ALDH1A1MAPT | |
| Piperonal SCHEMBL1751796 | 0.74 | ALDH1A1 (0.71) | VCPNPC1MTORRAB9AALDH1A1 |
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-20090143432-A1 | Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof | CONCERT PHARMACEUTICALS, INC. (US) | 2009-06-04 | — | — | 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-20090143432-A1 | Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof | COMT, DRD2, DRD3 | VCP 4027/4885NPC1 3262/4885MTOR 2457/4885 |
“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.