Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 4/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | HTR7 | P34969 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27327670 | 0.90 | HTR6 (0.47) | ALDH1A1KDM4ENPC1MAPTL3MBTL1 | |
| SCHEMBL27327453 | 0.86 | ALDH1A1 (0.40) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL27327669 | 0.85 | S1PR4 (0.43) | ALDH1A1KDM4ENPC1GAAMAPT | |
| SCHEMBL27327483 | 0.84 | FTO (0.43) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL27327458 | 0.82 | CYP2A6 (0.55) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27327257 | 0.77 | S1PR4 (0.48) | ALDH1A1MAPTRAB9ATP53MEN1 | |
| SCHEMBL27327653 | 0.76 | POLB (0.41) | ALDH1A1KDM4ENPC1GAAMAPT | |
| SCHEMBL27327480 | 0.76 | SMN1; SMN2 (0.40) | ALDH1A1KDM4ENPC1GAAMAPT | |
| SCHEMBL27327485 | 0.76 | HSD17B10 (0.42) | ALDH1A1KDM4ENPC1GAAMAPT | |
| SCHEMBL27331097 | 0.74 | LDHA (0.45) | ALDH1A1KDM4ENPC1L3MBTL1HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024103400-A1 | POLYCYCLIC COMPOUND AS GPR75 ACTIVATOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 水木未来(北京)科技有限公司 | 2024-05-23 | — | — | WO | disclosed |