Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11622447 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| Hydrochloric Acid SCHEMBL29103208 | 0.98 | MAPT (0.47) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| Hydrochloric Acid SCHEMBL30657705 | 0.98 | MAPT (0.47) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| Formic Acid SCHEMBL28751462 | 0.89 | CYP1A2 (0.42) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| SCHEMBL30498104 | 0.81 | ALKBH5 (0.49) | CYP3A4CYP1A2MAPTLMNAALDH1A1 | |
| SCHEMBL27199447 | 0.81 | ALKBH5 (0.49) | CYP3A4CYP1A2MAPTLMNAALDH1A1 | |
| SCHEMBL11445786 | 0.81 | PTPN7 (0.43) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| SCHEMBL11463792 | 0.81 | KDM1A (0.48) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| SCHEMBL9884507 | 0.79 | NPC1 (0.42) | CYP3A4CYP1A2ALOX15MAPK1MAPT | |
| SCHEMBL1253514 | 0.79 | HTR7 (0.50) | CYP3A4CYP1A2MAPTLMNAKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117024304-A | Preparation method of N ', N' -diaryl hydrazide compound | 赣南师范大学 | 2023-11-10 | — | — | CN | claimed |
| CN-117024348-A | New preparation method of Artemisia princeps | 南通常佑药业科技有限公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-117024304-A | Preparation method of N ', N' -diaryl hydrazide compound | 赣南师范大学 | 2023-11-10 | — | — | CN | disclosed |