Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.56 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | TERT | O14746 | 4/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6965641 | 1.00 | CYP2A6 (0.56) | CYP2A6NR4A1NR4A2NR4A3CYP1A2 | |
| SCHEMBL6965648 | 1.00 | CYP2A6 (0.56) | CYP2A6NR4A1NR4A2NR4A3CYP1A2 | |
| Hydrochloric Acid SCHEMBL6785085 | 0.98 | CYP2A6 (0.54) | CYP2A6NR4A1NR4A2NR4A3CYP1A2 | |
| SCHEMBL6785079 | 0.85 | CYP2A6 (0.54) | CYP2A6CYP1A2TERTALDH1A1LMNA | |
| SCHEMBL6958575 | 0.84 | TERT (0.59) | NR4A1NR4A2NR4A3TERTALDH1A1 | |
| SCHEMBL6958571 | 0.84 | TERT (0.59) | NR4A1NR4A2NR4A3TERTALDH1A1 | |
| SCHEMBL6958568 | 0.84 | TERT (0.59) | NR4A1NR4A2NR4A3TERTALDH1A1 | |
| Hydrochloric Acid SCHEMBL6785109 | 0.83 | TERT (0.58) | NR4A1NR4A2NR4A3TERTALDH1A1 | |
| SCHEMBL26623550 | 0.81 | NR4A1 (0.46) | CYP2A6NR4A1NR4A2NR4A3CYP1A2 | |
| SCHEMBL9613249 | 0.81 | NR4A1 (0.61) | NR4A1NR4A2NR4A3TBXAS1ALDH1A1 |
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 |