Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 8/20 | 0.60 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.60 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 2/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.51 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1204577 | 1.00 | CYP11B2 (0.60) | CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4 | |
| SCHEMBL127857 | 0.94 | CYP11B2 (0.58) | CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4 | |
| SCHEMBL7283560 | 0.85 | CYP11B2 (0.61) | CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4 | |
| SCHEMBL15271125 | 0.83 | RAB9A (0.51) | CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4 | |
| SCHEMBL25625872 | 0.83 | CYP11B2 (0.53) | CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4 | |
| Ethyl Acetate SCHEMBL29093356 | 0.81 | CYP3A4 (0.51) | CYP11B2CYP11B1CYP3A4CYP1A2NPC1 | |
| SCHEMBL29447161 | 0.79 | CYP1A2 (0.79) | CYP11B2CYP11B1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL443070 | 0.79 | CYP1A2 (0.79) | CYP11B2CYP11B1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL1536335 | 0.79 | PRKCZ (0.44) | CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4 | |
| SCHEMBL13302286 | 0.79 | CYP11B1 (0.62) | CYP11B2CYP11B1CYP19A1CYP1A2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4359388-A2 | ISOQUINOLINE AND PYRIDINE BASED CXCR4 ANTAGONISTS | Katholieke Universiteit Leuven (BE) | 2024-05-01 | — | — | EP | disclosed |
| CN-116375740-A | Difluoro pyrido [2,1-c ] [1,4] thiazine compounds and preparation method thereof | 北京化工大学 | 2023-07-04 | — | — | CN | disclosed |
| WO-2022269027-A2 | ISOQUINOLINE AND PYRIDINE BASED CXCR4 ANTAGONISTS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2022-12-29 | — | — | WO | disclosed |