Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 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 | |
|---|---|---|---|---|
| SCHEMBL3256643 | 0.80 | ALDH1A1 (0.54) | ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL1384232 | 0.76 | MAPT (0.53) | ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL8182696 | 0.75 | ALDH1A1 (0.57) | ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL11664265 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL14360013 | 0.73 | MAPT (0.53) | ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL13325835 | 0.72 | ALDH1A1 (0.72) | ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL9807923 | 0.71 | MAPT (0.41) | ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL14474713 | 0.71 | MAPT (0.43) | ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL11419932 | 0.70 | ALDH1A1 (0.71) | ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL10028046 | 0.70 | MAPT (0.51) | ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3468972-B1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2020-05-20 | — | — | EP | disclosed |