Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 5/20 | 0.37 |
| ▸ | TNF | P01375 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9196048 | 0.88 | P2RX3 (0.43) | CYP3A4P2RX3 | |
| SCHEMBL9202874 | 0.85 | P2RX3 (0.48) | P2RX3 | |
| SCHEMBL9196436 | 0.84 | P2RX3 (0.44) | P2RX3KDM4EMAPT | |
| SCHEMBL9202886 | 0.82 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL10333850 | 0.81 | CNR2 (0.35) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL10562559 | 0.77 | KMT2A (0.47) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL10560072 | 0.74 | P2RX3 (0.45) | P2RX3KDM4EMAPT | |
| SCHEMBL9196053 | 0.69 | ALDH1A1 (0.44) | ALDH1A1CYP3A4P2RX3L3MBTL1 | |
| SCHEMBL9202880 | 0.67 | P2RX3 (0.49) | P2RX3 | |
| SCHEMBL9196438 | 0.66 | P2RX3 (0.44) | MEN1KMT2AP2RX3KDM4EMAPT |
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-0383465-B1 | Tricyclic fused pyrimidine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-05-03 | — | — | EP | disclosed |
| US-5032594-A | Adenosine antagonist | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-07-16 | — | — | US | disclosed |
| EP-0383465-A2 | Tricyclic fused pyrimidine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-08-22 | — | — | EP | disclosed |