Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.61 |
| ▸ | NPC1 | O15118 | 6/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 8/20 | 0.60 |
| ▸ | MAOB | P27338 | 8/20 | 0.60 |
| ▸ | XDH | P47989 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28990315 | 0.87 | MAOB (0.60) | RAB9ANPC1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL11565649 | 0.81 | RAB9A (0.61) | RAB9ANPC1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL2109107 | 0.81 | RAB9A (0.61) | RAB9ANPC1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL5242625 | 0.81 | RAB9A (0.61) | RAB9ANPC1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL22340136 | 0.80 | XDH (0.76) | RAB9ANPC1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL29817357 | 0.79 | CYP11B1 (0.67) | RAB9ANPC1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL571576 | 0.78 | XDH (0.84) | RAB9ANPC1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL29953101 | 0.78 | MAOA (0.71) | RAB9ANPC1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL6967032 | 0.78 | MAOA (0.71) | RAB9ANPC1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL30715535 | 0.78 | CYP11B1 (0.54) | RAB9ANPC1MAPTKDM4ESMN1; SMN2 |
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-115991695-B | Method for preparing 3-fluorochromanone by metal-free catalytic hydrogenation | 中国科学院化学研究所 | 2024-06-21 | — | — | CN | disclosed |
| CN-115991695-A | Method for preparing 3-fluorochromanone by metal-free catalytic hydrogenation | 中国科学院化学研究所 | 2023-04-21 | — | — | CN | disclosed |