Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL84040 | 0.97 | RAB9A (0.62) | RAB9AMEN1KMT2ACA1CA2 | |
| SCHEMBL487342 | 0.90 | RAB9A (0.56) | RAB9AMEN1KMT2ACA1CA2 | |
| SCHEMBL13778697 | 0.90 | MEN1 (0.56) | RAB9AMEN1KMT2ACA1CA2 | |
| SCHEMBL28330426 | 0.90 | RAB9A (0.56) | RAB9AMEN1KMT2ACA1CA2 | |
| Boric Acid SCHEMBL14874706 | 0.88 | RAB9A (0.59) | RAB9AMEN1KMT2ACA1CA2 | |
| SCHEMBL130863 | 0.88 | RAB9A (0.59) | RAB9AMEN1KMT2ACA1CA2 | |
| SCHEMBL23742231 | 0.84 | LTA4H (0.61) | RAB9AMEN1KMT2ACA1CA2 | |
| SCHEMBL22014949 | 0.84 | SLC2A1 (0.55) | RAB9AMEN1KMT2ACA1CA2 | |
| SCHEMBL19222994 | 0.84 | RAB9A (0.51) | RAB9AMEN1KMT2ACA1CA2 | |
| Hydrochloric Acid SCHEMBL32690509 | 0.84 | TDP1 (0.52) | RAB9AMEN1KMT2ACA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104640852-A | Dna-pk inhibitors | VERTEX PHARMA | 2015-05-20 | — | — | CN | disclosed |