Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.35 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.35 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15285101 | 0.86 | P4HA1 (0.46) | L3MBTL1GABRA5 | |
| SCHEMBL16688436 | 0.86 | HDAC3 (0.38) | SMN1; SMN2KDM4EL3MBTL1HDAC3HDAC1 | |
| SCHEMBL14471373 | 0.83 | GAA (0.36) | KDM4EL3MBTL1 | |
| SCHEMBL16560326 | 0.83 | HDAC3 (0.34) | KDM4EHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL15299575 | 0.81 | MAPK1 (0.50) | KDM4EL3MBTL1HPGDSHDAC3HDAC1 | |
| SCHEMBL15285036 | 0.79 | MAOB (0.44) | SMN1; SMN2KDM4EEPHX2HDAC3HDAC1 | |
| SCHEMBL18300431 | 0.79 | MAPT (0.32) | NNMTL3MBTL1 | |
| SCHEMBL17444963 | 0.79 | CA12 (0.43) | SMN1; SMN2L3MBTL1 | |
| SCHEMBL18300430 | 0.79 | MAPT (0.32) | NNMTL3MBTL1 | |
| SCHEMBL16560331 | 0.77 | KDM4E (0.43) | SMN1; SMN2KDM4EL3MBTL1HPGDSHDAC3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022060459-A1 | HIGH-THROUGHPUT METHOD TO RAPIDLY ADD CHEMICAL MOIETIES TO A SMALL MOLECULE LIBRARY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2022-03-24 | — | — | WO | disclosed |