Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 10/20 | 0.48 |
| ▸ | CES1 | P23141 | 10/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5698788 | 0.80 | CES2 (0.55) | AKT1CES2CES1MAPTLMNA | |
| SCHEMBL10340028 | 0.80 | CES2 (0.52) | AKT1CES2CES1MAPTLMNA | |
| SCHEMBL367640 | 0.79 | AKT1 (0.58) | AKT1CES2CES1MAPTLMNA | |
| SCHEMBL11287392 | 0.78 | MAPT (0.56) | AKT1CES2CES1MAPTLMNA | |
| SCHEMBL8189830 | 0.78 | AKT1 (0.56) | AKT1CES1MAPTLMNAALDH1A1 | |
| Benzil SCHEMBL542099 | 0.74 | CES2 (0.70) | AKT1CES2CES1MAPTLMNA | |
| Benzophenone SCHEMBL18171700 | 0.74 | ALDH1A1 (0.56) | AKT1CES1MAPTLMNAALDH1A1 | |
| SCHEMBL9499917 | 0.74 | AKT1 (0.52) | AKT1CES2CES1MAPTLMNA | |
| SCHEMBL11768715 | 0.73 | CYP3A4 (0.46) | AKT1CES2CES1MAPTLMNA | |
| SCHEMBL3628129 | 0.73 | AKT1 (0.60) | AKT1CES2CES1MAPTLMNA |
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-6110957-A | ANTITUMOR AGENT TREATING CELL PROLIFERATIVE DISORDERS SUCH AS CANCER, DYES, FUNGICIDES, BACTERICIDES | SUGEN, INC. (US) | 2000-08-29 | — | — | US | disclosed |
| US-5786488-A | DEHYDROBROMINATION OF A DIBROMOBENZOQUINONES WITH AT LEAST ONE INDOLES IN A POLAR SOLVENT AND A METAL CARBONATE TO FORM AN ANTITUMOR AGENT | SUGEN, INC. (US) | 1998-07-28 | — | — | US | disclosed |