Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9195065 | 0.86 | ALDH1A1 (0.43) | KDM4EKMT2ACNR2ALDH1A1NPC1 | |
| SCHEMBL9196053 | 0.84 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1 | |
| SCHEMBL9202880 | 0.83 | P2RX3 (0.49) | — | |
| SCHEMBL10333454 | 0.81 | TNF (0.39) | KDM4EKMT2AMAPTCNR2ALDH1A1 | |
| SCHEMBL9202886 | 0.80 | ALDH1A1 (0.38) | KDM4EKMT2AMAPTALDH1A1CYP1A2 | |
| SCHEMBL9196438 | 0.80 | P2RX3 (0.44) | KDM4EKMT2AMAPTHTTMEN1 | |
| SCHEMBL10333850 | 0.78 | CNR2 (0.35) | KMT2ACNR2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL10332847 | 0.73 | CYP1A2 (0.42) | MAPTCNR2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL10333453 | 0.71 | TNF (0.37) | KMT2ACNR2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL10559207 | 0.70 | P2RX3 (0.49) | — |
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 |