Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MGMT | P16455 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9761856 | 0.77 | KMT2A (0.40) | CYP1A2CYP2C9ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9761268 | 0.77 | CYP1A2 (0.37) | CYP1A2CYP2C9ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9761621 | 0.76 | CYP1A2 (0.39) | CYP1A2CYP2C9ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9761212 | 0.74 | PARP1 (0.36) | CYP1A2CYP2C9ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9761376 | 0.74 | MAPT (0.35) | ALDH1A1KMT2AMAPTMEN1LMNA | |
| SCHEMBL9762560 | 0.72 | PIK3CB (0.49) | CYP1A2CYP2C9ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9762538 | 0.71 | SMN1; SMN2 (0.38) | CYP1A2CYP2C9ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL9761459 | 0.70 | ALDH1A1 (0.39) | CYP1A2CYP2C9ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9762175 | 0.69 | MAPT (0.33) | ALDH1A1MAPTLMNA | |
| SCHEMBL9762150 | 0.68 | KMT2A (0.48) | CYP1A2CYP2C9ALDH1A1KMT2ASMN1; SMN2 |
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 |