Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.55 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.53 |
| ▸ | PPIA | P62937 | 1/20 | 0.52 |
| ▸ | TOP2A | P11388 | 2/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | VNN1 | O95497 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6542333 | 0.89 | KDM4E (0.57) | NPC1RAB9ASMN1; SMN2ALDH1A1SGMS2 | |
| SCHEMBL38660185 | 0.84 | BRD4 (0.70) | NPC1RAB9ASMN1; SMN2ALDH1A1SGMS2 | |
| SCHEMBL11549645 | 0.84 | BRD4 (0.70) | NPC1RAB9ASMN1; SMN2ALDH1A1SGMS2 | |
| SCHEMBL6773073 | 0.83 | VNN1 (0.55) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL38660787 | 0.82 | KDM4E (0.59) | NPC1RAB9ASMN1; SMN2ALDH1A1SGMS2 | |
| SCHEMBL38660966 | 0.80 | MEN1 (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1MRGPRX4 | |
| SCHEMBL5936626 | 0.79 | BRD4 (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1PPIA | |
| SCHEMBL38659760 | 0.79 | MEN1 (0.62) | NPC1RAB9ASMN1; SMN2ALDH1A1MRGPRX4 | |
| SCHEMBL38660470 | 0.79 | MRGPRX4 (0.62) | ALDH1A1MRGPRX4L3MBTL1RXFP1 | |
| SCHEMBL38660825 | 0.79 | BRD4 (0.61) | NPC1RAB9ASMN1; SMN2ALDH1A1MRGPRX4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122036638-A | AKR1C3 inhibitor with tricyclic structure and application thereof | 中国药科大学 | 2026-05-15 | — | — | CN | disclosed |