Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11588203 | 0.96 | NPC1 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL11591376 | 0.94 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL4446561 | 0.92 | OPRM1 (0.37) | OPRM1CHRM1 | |
| SCHEMBL14294295 | 0.83 | CHRM1 (0.37) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL4767078 | 0.82 | PDE4A (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL6337276 | 0.80 | NPC1 (0.31) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL4762122 | 0.79 | OPRM1 (0.30) | OPRM1 | |
| SCHEMBL14258204 | 0.77 | KMT2A (0.33) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL8317825 | 0.74 | KCNA3 (0.37) | CHRM1 | |
| SCHEMBL872608 | 0.72 | OPRM1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116987095-A | Spiro-containing derivative, preparation method and application thereof | 上海枢境生物科技有限公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-116057060-B | Spiro-containing derivative, preparation method and application thereof | 上海枢境生物科技有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-116057060-A | Spiro-containing derivative, preparation method and application thereof | 上海枢境生物科技有限公司 | 2023-05-02 | — | — | CN | disclosed |
| WO-2022206706-A1 | SPIRO-CONTAINING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海枢境生物科技有限公司 | 2022-10-06 | — | — | WO | disclosed |
| US-6124354-A | TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME | PHARMACIA & UPJOHN AB (SE) | 2000-09-26 | — | — | US | disclosed |