Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NCK1 | P16333 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3820319 | 0.89 | KIF11 (0.47) | CYP2A6CYP1A2KIF11ABL1KDM4E | |
| SCHEMBL3825533 | 0.84 | CYP1A2 (0.44) | CYP2A6CYP1A2TDP1KIF11ABL1 | |
| SCHEMBL12369504 | 0.81 | GPR3 (0.59) | CYP2A6CYP1A2TDP1KIF11GPR3 | |
| SCHEMBL10825700 | 0.80 | CYP2A6 (0.58) | CYP2A6CYP1A2TDP1KIF11ABL1 | |
| SCHEMBL22661253 | 0.80 | CYP2A6 (0.58) | CYP2A6CYP1A2KDM4ECA12CA9 | |
| SCHEMBL317934 | 0.79 | ACHE (0.50) | TDP1KIF11ACHECYP3A4TSHR | |
| SCHEMBL29080814 | 0.78 | CYP2A6 (0.50) | CYP2A6CYP1A2TDP1KIF11ABL1 | |
| SCHEMBL2662744 | 0.78 | GPR3 (0.56) | CYP2A6CYP1A2TDP1KIF11GPR3 | |
| SCHEMBL12556826 | 0.77 | CYP2A6 (0.45) | CYP2A6CYP1A2TDP1ABL1GPR3 | |
| SCHEMBL13019832 | 0.77 | KIF11 (0.40) | CYP2A6CYP1A2TDP1KIF11ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9486422-B2 | Small molecule inhibitors of Mcl-1 and the uses of thereof | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2016-11-08 | — | — | US | disclosed |