Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | LDHA | P00338 | 2/20 | 0.39 |
| ▸ | LDHB | P07195 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.38 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27327458 | 0.89 | CYP2A6 (0.55) | ALDH1A1CYP2A6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27331097 | 0.89 | LDHA (0.45) | ALDH1A1LMNASMN1; SMN2CYP2A6LDHA | |
| SCHEMBL27327672 | 0.86 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDCYP2C9CYP2C19 | |
| SCHEMBL27327483 | 0.84 | FTO (0.43) | ALDH1A1SMN1; SMN2LDHALDHBKDM4E | |
| SCHEMBL27327670 | 0.82 | HTR6 (0.47) | ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A | |
| SCHEMBL27327257 | 0.79 | S1PR4 (0.48) | ALDH1A1KMT2ARAB9AMEN1 | |
| SCHEMBL27327485 | 0.78 | HSD17B10 (0.42) | ALDH1A1LMNASMN1; SMN2KDM4EHPGD | |
| SCHEMBL27327656 | 0.78 | S1PR4 (0.43) | ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A | |
| SCHEMBL27327653 | 0.78 | POLB (0.41) | ALDH1A1LMNAKDM4EHPGDKMT2A | |
| SCHEMBL27331209 | 0.78 | CYP2A6 (0.58) | ALDH1A1LMNASMN1; SMN2CYP2A6LDHA |
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 |