Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31590999 | 0.79 | HPGD (0.47) | ALDH1A1HPGDKDM4EMAPTHSD17B10 | |
| SCHEMBL31590862 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL31590949 | 0.76 | MARS1 (0.47) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL31590752 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL31590657 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL31590935 | 0.74 | ALDH1A1 (0.48) | ALDH1A1HPGDNPC1RAB9APTGS2 | |
| SCHEMBL31590854 | 0.74 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EMAPTNPC1 | |
| SCHEMBL31590699 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL31590964 | 0.72 | HPGD (0.40) | ALDH1A1HPGDKDM4EHSD17B10NPC1 | |
| SCHEMBL31590602 | 0.70 | SPR (0.41) | ALDH1A1HPGDKDM4EHSD17B10KMT2A |
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-120040420-A | Heterocyclic-pyrazole amine derivatives, preparation method thereof and application thereof in resisting tubercle bacillus infection | 中国医学科学院医药生物技术研究所 | 2025-05-27 | — | — | CN | disclosed |