Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.33 |
| ▸ | PTGFR | P43088 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL30648595 | 0.86 | HPGD (0.45) | NPC1RAB9AKMT2AHPGDTSHR | |
| SCHEMBL2951287 | 0.77 | NPC1 (0.53) | NPC1RAB9AKMT2AHPGDTSHR | |
| SCHEMBL30648565 | 0.73 | MAOA (0.41) | ALDH1A1KDM4EMAOAMAOBSLC6A2 | |
| SCHEMBL2944706 | 0.71 | MAOA (0.50) | NPC1RAB9AKMT2AHPGDTSHR | |
| SCHEMBL30648599 | 0.71 | MAOA (0.42) | ALDH1A1MAOAMAOBSLC6A2SLC6A4 | |
| SCHEMBL11591048 | 0.69 | KMT2A (0.45) | NPC1RAB9AKMT2AHPGDTSHR | |
| SCHEMBL30648577 | 0.69 | CYP3A4 (0.39) | ALDH1A1MAOAMAOBSLC6A2SLC6A4 | |
| SCHEMBL30648601 | 0.69 | MMP13 (0.38) | RAB9AKMT2AMAOAMAOBMTNR1A | |
| Hydrochloric Acid SCHEMBL11594431 | 0.68 | KMT2A (0.47) | NPC1RAB9AKMT2AHPGDTSHR | |
| SCHEMBL30648581 | 0.68 | TSHR (0.36) | NPC1RAB9AKMT2AHPGDTSHR |
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-117304081-A | Method for synthesizing homoallylic alcohol compound by synergistic catalysis of visible light and titanium | 河南师范大学 | 2023-12-29 | — | — | CN | disclosed |