Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 2/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.37 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24934295 | 0.86 | ABCG2 (0.38) | ABCG2MAPTKDM4ELMNANPC1 | |
| SCHEMBL24934233 | 0.78 | SCN9A (0.41) | MAPTMEN1KMT2AALDH1A1RORC | |
| SCHEMBL30163154 | 0.76 | ROCK2 (0.56) | MAPTKDM4ENPC1RAB9AMEN1 | |
| SCHEMBL29218195 | 0.76 | MAPK10 (0.45) | ABCG2MAPTKDM4ELMNANPC1 | |
| SCHEMBL29218214 | 0.76 | ROCK2 (0.56) | MAPTKDM4ENPC1RAB9AMEN1 | |
| SCHEMBL30163084 | 0.76 | MAPK10 (0.45) | ABCG2MAPTKDM4ELMNANPC1 | |
| SCHEMBL24933684 | 0.75 | KIT (0.30) | KITFLT3RORC | |
| SCHEMBL19390285 | 0.74 | ALDH1A1 (0.49) | MAPTKDM4ENPC1RAB9AMEN1 | |
| SCHEMBL24934159 | 0.73 | RORC (0.38) | MEN1KMT2AKITEGFRABL1 | |
| SCHEMBL24934261 | 0.72 | DDR2 (0.32) | KITABL1DDR1DDR2RORC |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |