Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.49 |
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TLK2 | Q86UE8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22425177 | 0.89 | RAB9A (0.65) | RAB9ASMN1; SMN2NPC1MEN1POLB | |
| SCHEMBL22425097 | 0.81 | GRIN2D (0.53) | SMYD3MAPTGAAPKMTLK2 | |
| SCHEMBL22425099 | 0.80 | SMYD3 (0.51) | RAB9ANPC1SMYD3MAPTPKM | |
| SCHEMBL22424916 | 0.79 | SMYD3 (0.50) | SMYD3MAPTPKMTLK2 | |
| SCHEMBL22425094 | 0.79 | PKM (0.59) | SMYD3MAPTALDH1A1PKMTLK2 | |
| SCHEMBL22425096 | 0.78 | KIF11 (0.51) | RAB9ANPC1SMYD3PKMTLK2 | |
| SCHEMBL22425267 | 0.77 | SMYD3 (0.48) | RAB9ANPC1POLBSMYD3GAA | |
| SCHEMBL22424888 | 0.77 | KIF11 (0.50) | RAB9ANPC1MEN1KMT2ASMYD3 | |
| SCHEMBL22424886 | 0.77 | PGR (0.56) | SMN1; SMN2MEN1KMT2ASMYD3MAPT | |
| SCHEMBL22425101 | 0.76 | SMYD3 (0.55) | SMYD3PKMTLK2 |
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-2020186202-A1 | SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2020-09-17 | — | — | WO | disclosed |