Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL20656215 | 0.95 | P2RX3 (0.36) | PKMMAPK1NPSR1SMN1; SMN2LMNA | |
| SCHEMBL20652832 | 0.93 | PKM (0.39) | PKMMAPK1GFERNPSR1TP53 | |
| SCHEMBL20652976 | 0.93 | PKM (0.39) | PKMMAPK1GFERNPSR1TP53 | |
| SCHEMBL20652949 | 0.93 | PKM (0.39) | PKMMAPK1GFERNPSR1TP53 | |
| SCHEMBL20656031 | 0.91 | PKM (0.41) | PKMMAPK1GFERNPSR1TP53 | |
| SCHEMBL20655924 | 0.88 | PKM (0.38) | PKMMAPK1GFERNPSR1TP53 | |
| SCHEMBL20656223 | 0.88 | TRPC4 (0.37) | PKMSMN1; SMN2ADORA3ALDH1A1P2RX3 | |
| SCHEMBL20656213 | 0.88 | TRPC4 (0.37) | PKMSMN1; SMN2ADORA3ALDH1A1P2RX3 | |
| SCHEMBL20653037 | 0.87 | ADORA3 (0.40) | PKMSMN1; SMN2HTTADORA3MAPT | |
| SCHEMBL20652764 | 0.87 | ADORA3 (0.40) | PKMSMN1; SMN2HTTADORA3MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652176-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2021-12-15 | — | — | EP | disclosed |
| WO-2019011802-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-01-17 | — | — | WO | disclosed |