Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10333850 | 0.81 | CNR2 (0.35) | ALDH1A1TSHRCNR2CYP1A2CYP2C19 | |
| SCHEMBL10333454 | 0.79 | TNF (0.39) | TNFALDH1A1HPGDCNR2CYP1A2 | |
| SCHEMBL10333434 | 0.71 | KDM4E (0.39) | ALDH1A1TSHRCNR2CYP1A2CYP2C19 | |
| SCHEMBL10332847 | 0.68 | CYP1A2 (0.42) | ALDH1A1TSHRMAPK1CNR2CYP1A2 | |
| SCHEMBL9202874 | 0.66 | P2RX3 (0.48) | P2RX3 | |
| SCHEMBL4251804 | 0.66 | TNF (0.56) | TNF | |
| SCHEMBL10560072 | 0.65 | P2RX3 (0.45) | HPGDP2RX3 | |
| SCHEMBL9196436 | 0.64 | P2RX3 (0.44) | HPGDP2RX3 | |
| SCHEMBL13315953 | 0.61 | ALDH1A1 (0.52) | TNFALDH1A1HPGDMAPK1CNR2 | |
| SCHEMBL10501681 | 0.61 | ALDH1A1 (0.41) | ALDH1A1MAPK1CYP1A2P2RX3ADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4912104-A | Containing ketone group in position 2 and 4 of ring | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-03-27 | — | — | US | disclosed |
| EP-0306185-A1 | Tricyclic fused pyrimidine derivatives their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-03-08 | — | — | EP | disclosed |