Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | CCNT1 | O60563 | 8/20 | 0.47 |
| ▸ | CDK9 | P50750 | 8/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.46 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | CDK4 | P11802 | 2/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.46 |
| ▸ | CCND1 | P24385 | 2/20 | 0.46 |
| ▸ | ABL2 | P42684 | 2/20 | 0.46 |
| ▸ | GSK3A | P49840 | 2/20 | 0.46 |
| ▸ | CDK7 | P50613 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14558177 | 0.85 | EGFR (0.47) | CYP1A2CYP2D6CYP2C19CLK4ALDH1A1 | |
| SCHEMBL374166 | 0.82 | EGFR (0.61) | CYP1A2CYP2D6CYP2C19CLK4ALDH1A1 | |
| SCHEMBL4104463 | 0.79 | CCNT1 (0.62) | CYP1A2CYP2D6CYP2C19CLK4ALDH1A1 | |
| SCHEMBL4108904 | 0.78 | CCNT1 (0.54) | CYP1A2CYP2D6CYP2C19CLK4ALDH1A1 | |
| SCHEMBL14558179 | 0.77 | CCNT1 (0.49) | CYP1A2CYP2D6CYP2C19CLK4ALDH1A1 | |
| SCHEMBL374904 | 0.76 | TNNI3K (0.57) | EGFRMEN1KMT2AKDM1ANPC1 | |
| SCHEMBL27637021 | 0.76 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C19CLK4ALDH1A1 | |
| SCHEMBL27700538 | 0.75 | EGFR (0.54) | CYP1A2CYP2D6CYP2C19CLK4ALDH1A1 | |
| SCHEMBL14558182 | 0.75 | NPC1 (0.71) | CYP1A2CYP2D6CYP2C19CLK4ALDH1A1 | |
| SCHEMBL4109262 | 0.71 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C19CLK4ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7189729-B2 | Methods and compositions as protein kinase inhibitors | IRM LLC (BM) | 2007-03-13 | — | — | US | disclosed |
| US-7189729-B2 | Methods and compositions as protein kinase inhibitors | IRM LLC (BM) | 2007-03-13 | — | — | US | disclosed |