Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.48 |
| ▸ | WNT3A | P56704 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18936242 | 0.91 | NPC1 (0.50) | NPC1CTNNB1WNT3APTPN1ERCC5 | |
| SCHEMBL7803908 | 0.86 | GRM5 (0.45) | ALDH1A1FAAHRAB9ACES2CES1 | |
| SCHEMBL15431705 | 0.81 | NPC1 (0.52) | NPC1CTNNB1WNT3APTPN1ERCC5 | |
| SCHEMBL18936367 | 0.81 | CTNNB1 (0.49) | CTNNB1WNT3APTPN1ERCC5FEN1 | |
| SCHEMBL14732971 | 0.80 | CTNNB1 (0.61) | NPC1CTNNB1WNT3APTPN1ERCC5 | |
| SCHEMBL6488590 | 0.80 | TDP1 (0.61) | NPC1ALDH1A1FAAHRAB9AEPHX2 | |
| SCHEMBL6383722 | 0.77 | PTPN1 (0.58) | CTNNB1WNT3APTPN1ERCC5FEN1 | |
| SCHEMBL291194 | 0.77 | SMN1; SMN2 (0.57) | ALDH1A1EPHX2TSHRMAPK1TEAD3 | |
| SCHEMBL20835784 | 0.76 | BCHE (0.47) | NPC1CTNNB1WNT3AFAAHRAB9A | |
| SCHEMBL2079376 | 0.76 | TSHR (0.50) | ALDH1A1EPHX2TSHRTDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3383493-B1 | CARBOCYCLIC FUSED IMINOTHIADIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2021-02-17 | — | — | EP | disclosed |
| US-10329291-B2 | C5-C6-carbocyclic fused iminothiadiazine dioxides as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. | 2019-06-25 | — | — | US | disclosed |
| WO-2017095759-A1 | C5-C6-CARBOCYCLIC FUSED IMINOTHIADIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-06-08 | — | — | 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-10329291-B2 | C5-C6-carbocyclic fused iminothiadiazine dioxides as BACE inhibitors, compositions, and their use | BACE1, BACE2, APP | NPC1 554/4885CTNNB1 209/4885WNT3A 310/4885 |
“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.