Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 5/20 | 0.39 |
| ▸ | TRPC5 | Q9UL62 | 3/20 | 0.38 |
| ▸ | TRPC4 | Q9UBN4 | 2/20 | 0.38 |
| ▸ | TRPC1 | P48995 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 7/20 | 0.37 |
| ▸ | USP1 | O94782 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL20652966 | 0.96 | MDM2 (0.43) | MDM2TRPC5TRPC4TRPC1KCNH2 | |
| SCHEMBL24095545 | 0.92 | TRPC5 (0.38) | MDM2TRPC5TRPC4TRPC1KCNH2 | |
| SCHEMBL20652731 | 0.92 | PKM (0.40) | MDM2TRPC5TRPC4TRPC1KCNH2 | |
| SCHEMBL20652803 | 0.92 | P2RX3 (0.41) | TRPC5TRPC4TRPC1KCNH2P2RX3 | |
| SCHEMBL20652804 | 0.91 | P2RX3 (0.46) | TRPC5TRPC4TRPC1KCNH2P2RX3 | |
| SCHEMBL20653072 | 0.91 | ADORA3 (0.42) | TRPC5TRPC4KCNH2P2RX3USP1 | |
| SCHEMBL20656195 | 0.88 | TRPC4 (0.38) | MDM2TRPC5TRPC4TRPC1KCNH2 | |
| SCHEMBL20652798 | 0.88 | TRPC4 (0.38) | MDM2TRPC5TRPC4TRPC1KCNH2 | |
| SCHEMBL20652951 | 0.88 | FFAR4 (0.36) | MDM2TRPC5TRPC4TRPC1KCNH2 | |
| SCHEMBL24095606 | 0.88 | MDM2 (0.43) | MDM2P2RX3USP1ADORA3GPBAR1 |
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 |