Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28481167 | 0.76 | RAB9A (0.46) | SMN1; SMN2CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL30207 | 0.76 | PPARA (0.46) | SMN1; SMN2NR1H4NPC1RAB9AKMO | |
| SCHEMBL4527515 | 0.74 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP1A2CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL23633460 | 0.73 | ESR1 (0.58) | SMN1; SMN2CYP1A2CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL10051440 | 0.73 | GSTP1 (0.52) | SMN1; SMN2CYP1A2CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL2463860 | 0.73 | BRD4 (0.49) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL2462858 | 0.73 | S1PR1 (0.49) | CYP11B1CYP11B2NPSR1S1PR1NPC1 | |
| SCHEMBL17451057 | 0.72 | KDM4E (0.47) | SMN1; SMN2CYP1A2CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL2529766 | 0.72 | TDP1 (0.48) | SMN1; SMN2CYP11B1CYP11B2ALDH1A1HSD17B10 | |
| SCHEMBL2463901 | 0.71 | GSK3B (0.53) | ALDH1A1KDM4EMEN1KMT2AMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6930104-B2 | Heterocyclic derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-08-16 | — | — | US | disclosed |
| US-20040157850-A1 | Novel heterocyclic derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-08-12 | — | — | US | disclosed |
| EP-1382598-A1 | NOVEL HETEROCYCLIC DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2004-01-21 | — | — | EP | 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-20040157850-A1 | Novel heterocyclic derivatives | APP, BACE1, PSEN1 | SMN1; SMN2 66/4885CYP1A2 2805/4885CYP11B1 197/4885 |
“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.