Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22731795 | 0.83 | PTGS1 (0.50) | APPMAOBIDO1SMN1; SMN2MAPT | |
| SCHEMBL22717376 | 0.80 | NPC1 (0.46) | APPMAOBIDO1NPC1RAB9A | |
| SCHEMBL22732068 | 0.78 | KDM1A (0.38) | NPC1RAB9A | |
| SCHEMBL17184845 | 0.67 | CA1 (0.49) | IDO1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL22731858 | 0.67 | NPC1 (0.37) | NPC1RAB9ASMN1; SMN2HSD11B1RXRA | |
| SCHEMBL22732065 | 0.67 | MBOAT4 (0.34) | KMT2ASMN1; SMN2MAPTLMNAHSD11B1 | |
| SCHEMBL5378052 | 0.66 | MEN1 (0.41) | MEN1KMT2AAPPMAOBIDO1 | |
| SCHEMBL13929696 | 0.66 | APP (0.67) | APPMAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2399080 | 0.65 | APP (0.80) | APPMAOBIDO1RXRARXRB | |
| SCHEMBL22731794 | 0.65 | HDAC1 (0.32) | — |
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-2020243459-A1 | THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2020-12-03 | — | — | WO | disclosed |