Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
| ▸ | RGS4 | P49798 | 2/20 | 0.33 |
| ▸ | RGS8 | P57771 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22105372 | 0.77 | ALDH1A1 (0.32) | P2RX3RGS4RGS8KMT2APDE5A | |
| SCHEMBL22105371 | 0.73 | TPH1 (0.50) | KMT2ANPSR1LMNASMN1; SMN2KDM4E | |
| SCHEMBL22105783 | 0.66 | BRD4 (0.50) | KMT2ANPSR1SMN1; SMN2KDM4E | |
| SCHEMBL22105573 | 0.65 | KDM4E (0.55) | KMT2ANPSR1SMN1; SMN2KDM4E | |
| SCHEMBL19090464 | 0.63 | P2RX3 (0.36) | P2RX3RGS4RGS8KMT2APDE5A | |
| SCHEMBL19090462 | 0.62 | P2RX3 (0.35) | P2RX3RGS4RGS8KMT2APDE5A | |
| SCHEMBL19090465 | 0.62 | MEN1 (0.39) | P2RX3KMT2APDE5ANPSR1LMNA | |
| SCHEMBL14618786 | 0.61 | CYP3A4 (0.35) | KMT2ASMN1; SMN2 | |
| SCHEMBL22105568 | 0.60 | TPH1 (0.53) | KMT2ANPSR1LMNASMN1; SMN2KDM4E | |
| SCHEMBL19090459 | 0.58 | MEN1 (0.49) | KMT2APDE5ANPSR1 |
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-3894410-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2023-10-11 | — | — | EP | disclosed |
| WO-2020120450-A1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-06-18 | — | — | WO | disclosed |