Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17553233 | 0.86 | CYP1A2 (0.47) | NPC1RAB9AMEN1POLBKMT2A | |
| SCHEMBL17553242 | 0.85 | L3MBTL1 (0.41) | CA4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL17536636 | 0.83 | APP (0.48) | APPKCNH2NPC1RAB9AMEN1 | |
| SCHEMBL17552564 | 0.80 | ALDH1A1 (0.42) | APPKCNH2NPC1RAB9AMEN1 | |
| SCHEMBL17552565 | 0.80 | GRM5 (0.38) | CA4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL6365168 | 0.79 | APP (0.48) | APPKCNH2NPC1RAB9AMEN1 | |
| SCHEMBL17552562 | 0.79 | PYCR1 (0.37) | APPNPC1RAB9AMEN1KMT2A | |
| SCHEMBL17552567 | 0.79 | GRM5 (0.37) | APPNPC1RAB9AMEN1KMT2A | |
| SCHEMBL673162 | 0.77 | APP (0.55) | APPKCNH2NPC1RAB9AMEN1 | |
| SCHEMBL15299057 | 0.77 | APP (0.55) | APPKCNH2NPC1RAB9AMEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3189063-B1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | CALIFORNIA INST OF TECHN (US) | 2019-08-14 | — | — | EP | disclosed |
| US-10072030-B2 | Base-catalyzed silylation of terminal alkyne C—H bonds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-09-11 | — | — | US | disclosed |
| EP-3189063-A1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | California Institute of Technology (US) | 2017-07-12 | — | — | EP | disclosed |
| US-20170088563-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | NATIONAL SCIENCE FOUNDATION | 2017-03-30 | — | — | US | disclosed |
| US-9556206-B2 | Base-catalyzed silylation of terminal alkyne C—H bonds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-01-31 | — | — | US | disclosed |
| WO-2016036685-A1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-03-10 | — | — | WO | disclosed |
| WO-2016036685-A1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-03-10 | — | — | WO | disclosed |
| US-20160060278-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2016-03-03 | — | — | 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 (3 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-20160060278-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | ALKBH3, CA3, ALKBH2 | APP 4614/4885KCNH2 12/4885CA4 21/4885 |
| US-20170088563-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | ALKBH3, CA3, ALKBH2 | APP 4664/4885KCNH2 10/4885CA4 25/4885 |
| US-10072030-B2 | Base-catalyzed silylation of terminal alkyne C—H bonds | ALKBH3, CA3, ALKBH2 | APP 4618/4885KCNH2 8/4885CA4 31/4885 |
“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.