Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | CFTR | P13569 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | ASPH | Q12797 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 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 | |
|---|---|---|---|---|
| SCHEMBL25206544 | 1.00 | SSTR4 (0.36) | SSTR4MAP3K12CYP11B1CYP11B2CFTR | |
| SCHEMBL2147947 | 0.79 | HTT (0.33) | CYP11B1CYP11B2HTTKMT2A | |
| SCHEMBL3954740 | 0.78 | SSTR4 (0.32) | SSTR4CYP11B1CYP11B2CFTRPLA2G1B | |
| SCHEMBL5254693 | 0.77 | S1PR1 (0.36) | HTTKMT2A | |
| SCHEMBL25922382 | 0.77 | SSTR4 (0.36) | SSTR4 | |
| SCHEMBL24869542 | 0.76 | MAP3K12 (0.39) | MAP3K12CYP11B1CYP11B2CYP3A4CYP2D6 | |
| SCHEMBL25315336 | 0.75 | SSTR4 (0.35) | SSTR4CFTRPLA2G1BATG4BSLC22A12 | |
| SCHEMBL30507044 | 0.75 | SSTR4 (0.35) | SSTR4CFTRPLA2G1BATG4BSLC22A12 | |
| SCHEMBL25206015 | 0.74 | PLAU (0.43) | HTTKMT2A | |
| SCHEMBL22140337 | 0.74 | KMT2A (0.41) | PLA2G1BATG4BRETHTTKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4284804-A1 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS | Schrödinger, Inc. (US) | 2023-12-06 | — | — | EP | disclosed |
| CN-117120442-A | Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders | 薛定谔公司 | 2023-11-24 | — | — | CN | disclosed |
| WO-2022164789-A9 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS | SCHRÖDINGER, INC. (US) | 2023-05-25 | — | — | WO | disclosed |
| WO-2022164789-A1 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISODERS | SCHRÖDINGER, INC. (US) | 2022-08-04 | — | — | WO | disclosed |