Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25417390 | 1.00 | KDM2B (0.36) | KDM2BKDM4CPDGFRBFGFR1KDR | |
| SCHEMBL25418401 | 0.80 | HIF1A (0.36) | SMN1; SMN2TSHRESR1ESR2RAB9A | |
| SCHEMBL29818528 | 0.80 | HIF1A (0.36) | SMN1; SMN2TSHRESR1ESR2RAB9A | |
| SCHEMBL29818457 | 0.79 | DRD2 (0.34) | — | |
| SCHEMBL25418293 | 0.79 | DRD2 (0.34) | — | |
| SCHEMBL25206827 | 0.71 | EPHX2 (0.39) | KDM2BKDM4C | |
| SCHEMBL25212088 | 0.71 | BDKRB1 (0.35) | KDM2BKDM4C | |
| SCHEMBL27020067 | 0.70 | ESR1 (0.37) | SMN1; SMN2ESR1ESR2GAAALDH1A1 | |
| SCHEMBL29818445 | 0.70 | DRD4 (0.34) | — | |
| SCHEMBL25419864 | 0.70 | DRD4 (0.34) | — |
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 |