Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9196053 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HPGDP2RX3CYP3A4 | |
| SCHEMBL10333434 | 0.86 | KDM4E (0.39) | ALDH1A1KDM4ECRHBPCRHR2CNR2 | |
| SCHEMBL9196438 | 0.82 | P2RX3 (0.44) | HPGDKDM4ETHRBADORA3MEN1 | |
| SCHEMBL9202880 | 0.81 | P2RX3 (0.49) | P2RX3 | |
| SCHEMBL9202886 | 0.78 | ALDH1A1 (0.38) | ALDH1A1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL10561004 | 0.72 | HPGD (0.49) | ALDH1A1HPGDADRA2AADORA3POLB | |
| SCHEMBL3979221 | 0.71 | HPGD (0.68) | ALDH1A1HPGDTDP1ADRA2AADORA3 | |
| SCHEMBL9196048 | 0.71 | P2RX3 (0.43) | HPGDADORA3P2RX3CYP3A4 | |
| SCHEMBL10557407 | 0.70 | MEN1 (0.47) | HPGDKDM4ETHRBADORA3MEN1 | |
| SCHEMBL10559207 | 0.69 | P2RX3 (0.49) | P2RX3 |
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 |