Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MGMT | P16455 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9761419 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2C9ALDH1A1MAPTCYP3A4 | |
| SCHEMBL9762357 | 0.76 | L3MBTL1 (0.35) | CYP1A2CYP2C9ALDH1A1MAPTCYP2C19 | |
| SCHEMBL9762643 | 0.74 | — | — | |
| SCHEMBL9761203 | 0.73 | — | — | |
| SCHEMBL9762592 | 0.68 | KMT2A (0.42) | CYP1A2CYP2C9ALDH1A1MAPTCYP3A4 | |
| SCHEMBL10400088 | 0.68 | FDPS (0.34) | MAPTLMNA | |
| SCHEMBL9762562 | 0.65 | ALDH1A1 (0.38) | CYP1A2CYP2C9ALDH1A1MAPTCYP2C19 | |
| SCHEMBL9762150 | 0.63 | KMT2A (0.48) | CYP1A2CYP2C9ALDH1A1MAPTCYP3A4 | |
| SCHEMBL9762505 | 0.62 | KMT2A (0.44) | CYP1A2CYP2C9ALDH1A1MAPTCYP2C19 | |
| SCHEMBL9761177 | 0.61 | — | — |
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-5026694-A | Antitumor agents | THE BRITISH COLUMBIA CANCER FOUNDATION (CA) | 1991-06-25 | — | — | US | disclosed |