Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SNCA | P37840 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2363793 | 0.91 | CYP3A4 (0.37) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL1361266 | 0.88 | TSHR (0.41) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL10536237 | 0.86 | CYP3A4 (0.34) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL27761303 | 0.84 | CYP3A4 (0.41) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| Pyridine SCHEMBL28332649 | 0.83 | SNCA (0.38) | CYP3A4TSHRALDH1A1HSD17B10NPSR1 | |
| SCHEMBL28977828 | 0.82 | CYP3A4 (0.39) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL1361264 | 0.80 | CYP4F2 (0.44) | ALDH1A1HSD17B10NPSR1PKMMEN1 | |
| SCHEMBL1226434 | 0.78 | CYP3A4 (0.37) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL11498756 | 0.78 | CYP3A4 (0.37) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL6050114 | 0.78 | TSHR (0.39) | CYP3A4TSHRMAPTCACNA1BAPBA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8066914-B2 | 7-ethynyl-2,4,9-trithiaadamantane and related methods | UNIVERSITY OF AKRON (US) | 2011-11-29 | — | — | US | disclosed |
| US-20100072425-A1 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | THE UNIVERSITY OF AKRON (US) | 2010-03-25 | — | — | US | disclosed |
| US-7501529-B2 | 7-Ethynyl-2,4,9-trithiaadamantane and related methods | THE UNIVERSITY OF AKRON (US) | 2009-03-10 | — | — | US | disclosed |
| US-20080177094-A1 | 7-Ethynyl-2,4,9-Trithiaadamantane and Related Methods | AKRON, THE UNIVERSITY OF | 2008-07-24 | — | — | US | disclosed |
| WO-2005003089-A2 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | THE UNIVERSITY OF AKRON (US) | 2005-01-13 | — | — | 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 (2 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-20080177094-A1 | 7-Ethynyl-2,4,9-Trithiaadamantane and Related Methods | ALKBH2, TET1, AOX1 | CYP3A4 835/4885TSHR 1033/4885MAPT 2803/4885 |
| US-20100072425-A1 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | ALKBH2, AOX1, TET1 | CYP3A4 850/4885TSHR 1027/4885MAPT 2902/4885 |
“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.