Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | GLA | P06280 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.51 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CHAT | P28329 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL427447 | 0.80 | CHAT (0.47) | DHFRALDH1A1NPC1HPGDKDM4E | |
| SCHEMBL8628483 | 0.79 | CHAT (0.46) | DHFRALDH1A1NPC1HPGDKDM4E | |
| SCHEMBL430979 | 0.79 | CHAT (0.46) | DHFRALDH1A1NPC1HPGDKDM4E | |
| SCHEMBL7806621 | 0.79 | ALDH1A1 (0.56) | ALDH1A1NPC1HPGDKDM4EKMT2A | |
| SCHEMBL29365630 | 0.79 | ALDH1A1 (0.56) | ALDH1A1NPC1HPGDKDM4EKMT2A | |
| SCHEMBL2448841 | 0.79 | ALDH1A1 (0.55) | ALDH1A1NPC1HPGDKDM4EKMT2A | |
| SCHEMBL6008034 | 0.79 | ALDH1A1 (0.55) | ALDH1A1NPC1HPGDKDM4EKMT2A | |
| SCHEMBL1535992 | 0.79 | ALDH1A1 (0.55) | ALDH1A1NPC1HPGDKDM4EKMT2A | |
| SCHEMBL2773275 | 0.77 | CHAT (0.66) | DHFRALDH1A1NPC1HPGDKDM4E | |
| Benzene SCHEMBL28841286 | 0.77 | CHAT (0.66) | DHFRALDH1A1NPC1HPGDKDM4E |
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-113121439-B | Compound, pharmaceutical composition, medicine and application of compound, pharmaceutical composition and medicine in preparation of antibacterial product | 山东大学 | 2022-05-03 | — | — | CN | disclosed |