Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARG | P13631 | 13/20 | 0.44 |
| ▸ | RXRA | P19793 | 13/20 | 0.44 |
| ▸ | RARA | P10276 | 11/20 | 0.44 |
| ▸ | RARB | P10826 | 11/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950464 | 1.00 | RARG (0.44) | RARGRXRARARARARBCYP26A1 | |
| SCHEMBL6950456 | 1.00 | RARG (0.44) | RARGRXRARARARARBCYP26A1 | |
| SCHEMBL7666696 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TBXAS1ESR1CYP19A1 | |
| SCHEMBL7666704 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TBXAS1ESR1CYP19A1 | |
| SCHEMBL7666712 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TBXAS1ESR1CYP19A1 | |
| SCHEMBL9162935 | 0.77 | RARA (0.52) | RARGRXRARARARARBCYP26A1 | |
| SCHEMBL9162931 | 0.77 | RARA (0.52) | RARGRXRARARARARBCYP26A1 | |
| SCHEMBL6956907 | 0.75 | CYP19A1 (0.51) | POLBTBXAS1CYP19A1 | |
| SCHEMBL6956897 | 0.75 | CYP19A1 (0.51) | POLBTBXAS1CYP19A1 | |
| SCHEMBL6956904 | 0.75 | CYP19A1 (0.51) | POLBTBXAS1CYP19A1 |
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 |