Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.42 |
| ▸ | REN | P00797 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.36 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | PPIB | P23284 | 1/20 | 0.34 |
| ▸ | PPIA | P62937 | 1/20 | 0.34 |
| ▸ | PPID | Q08752 | 1/20 | 0.34 |
| ▸ | PPIG | Q13427 | 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 | |
|---|---|---|---|---|
| SCHEMBL30912497 | 1.00 | ADORA1 (0.44) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL7906205 | 0.92 | ADORA1 (0.44) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL14008630 | 0.89 | AAK1 (0.42) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL28612920 | 0.89 | AAK1 (0.42) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL30912519 | 0.82 | ITGA4 (0.45) | ADORA1MMP13ITGA4ITGB7LMNA | |
| SCHEMBL30912560 | 0.82 | ITGA4 (0.45) | ADORA1MMP13ITGA4ITGB7LMNA | |
| SCHEMBL20422635 | 0.80 | ESR1 (0.49) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL20422634 | 0.80 | ESR1 (0.49) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL23279486 | 0.79 | MEN1 (0.41) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL6992860 | 0.79 | ADORA1 (0.41) | ADORA1AAK1RENMMP13ITGA4 |
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-4619406-A1 | TRICYCLIC COMPOUNDS | Schrödinger, Inc. (US) | 2025-09-24 | — | — | EP | disclosed |
| WO-2024107393-A1 | TRICYCLIC COMPOUNDS | SCHRÖDINGER, INC. (US) | 2024-05-23 | — | — | WO | disclosed |