Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24481808 | 1.00 | PIN1 (0.51) | PIN1ALDH1A1HTTTSHRLMNA | |
| SCHEMBL21788517 | 0.88 | PIN1 (0.51) | PIN1ALDH1A1HTTTSHRLMNA | |
| SCHEMBL9364487 | 0.83 | AKR1C3 (0.50) | LMNA | |
| SCHEMBL1530291 | 0.82 | SRD5A1 (0.44) | PIN1ALDH1A1HTTSRD5A1TRPV1 | |
| SCHEMBL30436687 | 0.82 | SRD5A1 (0.44) | PIN1ALDH1A1HTTSRD5A1TRPV1 | |
| SCHEMBL29552779 | 0.82 | P2RX7 (0.46) | ALDH1A1SRD5A1PDE10ATRPV1 | |
| SCHEMBL19285262 | 0.82 | P2RX7 (0.46) | ALDH1A1SRD5A1PDE10ATRPV1 | |
| SCHEMBL23670494 | 0.82 | P2RX7 (0.46) | ALDH1A1SRD5A1PDE10ATRPV1 | |
| SCHEMBL19469507 | 0.82 | MTNR1A (0.50) | SRD5A1 | |
| SCHEMBL19469653 | 0.82 | P2RX7 (0.46) | ALDH1A1SRD5A1PDE10ATRPV1 |
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-4251633-A1 | CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF | Risen (Suzhou) Pharma Tech Co., Ltd. (CN) | 2023-10-04 | — | — | EP | disclosed |
| WO-2022109741-A1 | CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF | Risen (Suzhou) Pharma Tech Co., Ltd. (CN) | 2022-06-02 | — | — | WO | disclosed |