Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL563697 | 0.80 | AKR1C3 (0.50) | TP53CYP3A4CYP1A2CYP2C9AKR1C3 | |
| SCHEMBL16266991 | 0.75 | THRB (0.49) | CYP3A4CYP1A2AKR1C3ALDH1A1KDM4E | |
| SCHEMBL5488504 | 0.75 | CA2 (0.39) | TP53JUNCYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4905786 | 0.64 | TRPA1 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL4905778 | 0.64 | TRPA1 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL4905770 | 0.64 | TRPA1 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL14913574 | 0.62 | CYP1A2 (0.55) | CYP3A4CYP1A2CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL1563519 | 0.62 | AKR1C3 (0.52) | TP53CYP3A4CYP1A2CYP2C9AKR1C3 | |
| SCHEMBL563363 | 0.61 | AKR1C3 (0.46) | TP53CYP3A4CYP1A2CYP2C9AKR1C3 | |
| SCHEMBL3226792 | 0.61 | AKR1C3 (0.55) | TP53CYP3A4CYP1A2CYP2C9AKR1C3 |
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-20070010428-A1 | Inhibitors of signal transduction and activator of transcription 3 | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2007-01-11 | — | — | US | disclosed |