Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NCK1 | P16333 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6963096 | 1.00 | CYP2A6 (0.49) | CYP2A6CYP1A2TDP1NCK1BACE1 | |
| SCHEMBL6963090 | 1.00 | CYP2A6 (0.49) | CYP2A6CYP1A2TDP1NCK1BACE1 | |
| SCHEMBL6955143 | 0.84 | KDM4E (0.49) | TDP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6955133 | 0.84 | KDM4E (0.49) | TDP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6955138 | 0.84 | KDM4E (0.49) | TDP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL10951124 | 0.81 | ALDH1A1 (0.41) | TDP1ALDH1A1LMNAGAAHPGD | |
| SCHEMBL10951122 | 0.81 | ALDH1A1 (0.41) | TDP1ALDH1A1LMNAGAAHPGD | |
| SCHEMBL6965089 | 0.79 | KDM4E (0.53) | CYP2A6CYP1A2KDM4EALDH1A1LMNA | |
| SCHEMBL6965083 | 0.79 | KDM4E (0.53) | CYP2A6CYP1A2KDM4EALDH1A1LMNA | |
| SCHEMBL6965079 | 0.79 | KDM4E (0.53) | CYP2A6CYP1A2KDM4EALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0974584-B1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-15 | — | — | EP | disclosed |
| US-6420375-B1 | ANTITUMOR | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-0974584-A1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-01-26 | — | — | EP | disclosed |