Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7962367 | 0.85 | HPGD (0.55) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| SCHEMBL8204552 | 0.80 | BRD4 (0.62) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| SCHEMBL8909803 | 0.75 | CYP1A2 (0.52) | CYP1A2ALDH1A1MAPK1XBP1HPGD | |
| SCHEMBL11648083 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| SCHEMBL12050225 | 0.74 | NPC1 (0.56) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| SCHEMBL11647620 | 0.73 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| SCHEMBL8716863 | 0.70 | RAB9A (0.63) | ALDH1A1MAPK1HPGDPOLBTSHR | |
| SCHEMBL11648233 | 0.70 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| SCHEMBL11650167 | 0.70 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| SCHEMBL11649200 | 0.70 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5679694-A | LOW TOXICITY AGAINST NORMAL CELL LINES | THE WELLCOME FOUNDATION LTD. (GB) | 1997-10-21 | — | — | US | disclosed |
| EP-0651750-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-05-10 | — | — | EP | disclosed |
| WO-1994002483-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |