Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 6/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29993794 | 1.00 | CYP17A1 (0.35) | CYP17A1CHRNB2CHRNA4ALDH1A1P2RX7 | |
| SCHEMBL24772931 | 0.82 | CHRNB2 (0.33) | CYP17A1CHRNB2CHRNA4MEN1KMT2A | |
| SCHEMBL21623507 | 0.80 | CSNK2B (0.35) | CSNK2BPDK2PDK4 | |
| SCHEMBL20772273 | 0.77 | CYP17A1 (0.40) | CYP17A1CHRNB2CHRNA4P2RX7MEN1 | |
| SCHEMBL24446476 | 0.76 | CSNK2B (0.33) | CSNK2B | |
| SCHEMBL21616744 | 0.75 | ASPH (0.45) | KMT2A | |
| SCHEMBL21222763 | 0.73 | GSK3B (0.39) | — | |
| SCHEMBL899188 | 0.72 | TDP1 (0.45) | ALDH1A1LMNANPC1RAB9AERN1 | |
| SCHEMBL29411195 | 0.72 | TDP1 (0.45) | ALDH1A1LMNANPC1RAB9AERN1 | |
| SCHEMBL23884983 | 0.72 | MEN1 (0.38) | ALDH1A1CSNK2BERN1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-117642392-A | Preparation and application of compounds with immunoregulation function | 上海轶诺药业有限公司 | 2024-03-01 | — | — | CN | disclosed |
| WO-2022253327-A1 | PREPARATION AND USE OF COMPOUND HAVING IMMUNOMODULATORY FUNCTION | 上海轶诺药业有限公司 | 2022-12-08 | — | — | WO | disclosed |