Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19741324 | 0.79 | ACHE (0.42) | ACHEMMP2EPHX1GRIN2DGRIN3B | |
| SCHEMBL17956760 | 0.78 | ACHE (0.41) | ACHEMMP2EPHX1GRIN2DGRIN3B | |
| SCHEMBL17956780 | 0.78 | ACHE (0.41) | ACHEMMP2EPHX1GRIN2DGRIN3B | |
| SCHEMBL19741365 | 0.76 | MEN1 (0.38) | ACHEMMP2EPHX1GRIN2DGRIN3B | |
| SCHEMBL17956763 | 0.73 | GRIN2D (0.42) | ACHEMMP2EPHX1GRIN2DGRIN3B | |
| SCHEMBL17956782 | 0.72 | GRIN2D (0.39) | ACHEMMP2EPHX1GRIN2DGRIN3B | |
| SCHEMBL3483039 | 0.72 | MMP2 (0.41) | ACHEMMP2EPHX1MMP1CA12 | |
| SCHEMBL3462017 | 0.69 | TSHR (0.35) | MMP2EPHX1CA12CA1CA2 | |
| SCHEMBL17956814 | 0.68 | GRIN2D (0.38) | ACHEMMP2EPHX1GRIN2DGRIN3B | |
| SCHEMBL8172017 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10767112-B2 | Methods of producing metal sulfides, metal selenides, and metal sulfides/selenides having controlled architectures using kinetic control | THE TRUSTEES OF THE COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-09-08 | — | — | US | disclosed |
| US-20170369779-A1 | METHODS OF PRODUCING METAL SULFIDES, METAL SELENIDES, AND METAL SULFIDES/SELENIDES HAVING CONTROLLED ARCHITECTURES USING KINETIC CONTROL | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2017-12-28 | — | — | US | disclosed |