Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2072670 | 0.91 | DRD2 (0.40) | PDE4APDE4BPDE4CPDE4DCFTR | |
| SCHEMBL1386593 | 0.91 | DRD2 (0.40) | PDE4APDE4BPDE4CPDE4DCFTR | |
| SCHEMBL9844745 | 0.86 | MAPT (0.35) | MEN1KMT2APKMPOLBBLM | |
| SCHEMBL9844748 | 0.83 | DRD2 (0.39) | CFTRMEN1KMT2APKMMAPT | |
| SCHEMBL8997137 | 0.81 | BRD4 (0.36) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL9439773 | 0.79 | BCL2L11 (0.34) | CFTRCNR2MEN1KMT2APOLB | |
| SCHEMBL9844763 | 0.77 | NPC1 (0.36) | MEN1KMT2AMAPTTLR7KDM4E | |
| SCHEMBL9844781 | 0.75 | DRD2 (0.40) | CFTROPRK1MEN1KMT2APKM | |
| SCHEMBL8997195 | 0.63 | ATIC (0.35) | MEN1KMT2AMAPTTLR7THRB | |
| SCHEMBL8997153 | 0.62 | CYP4A11 (0.36) | MEN1KMT2AMAPTTLR7THRB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0334636-B1 | Pyrrolopyrimidine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-10-23 | — | — | EP | disclosed |
| US-5539113-A | ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-07-23 | — | — | US | disclosed |
| US-5296600-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-03-22 | — | — | US | disclosed |
| US-5106974-A | Antitumor and -carcinogenic agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-21 | — | — | US | disclosed |
| US-4997838-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | disclosed |
| EP-0334636-A2 | Pyrrolopyrimidine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-09-27 | — | — | EP | disclosed |