Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27327453 | 0.89 | ALDH1A1 (0.40) | CYP2A6CYP2C19CYP2D6CYP2C9KMT2A | |
| SCHEMBL27331209 | 0.89 | CYP2A6 (0.58) | CYP2A6CYP2C19CYP2D6CYP2C9CYP2E1 | |
| SCHEMBL27327670 | 0.82 | HTR6 (0.47) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL27327483 | 0.82 | FTO (0.43) | KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL27327672 | 0.82 | ALDH1A1 (0.45) | CYP2C19CYP2C9CYP3A4KMT2AMEN1 | |
| SCHEMBL27331097 | 0.78 | LDHA (0.45) | CYP2A6KMT2AMEN1ALDH1A1SIRT2 | |
| SCHEMBL27327257 | 0.76 | S1PR4 (0.48) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL27327656 | 0.76 | S1PR4 (0.43) | KMT2AMEN1ALDH1A1TSHRPOLB | |
| SCHEMBL27327485 | 0.76 | HSD17B10 (0.42) | KMT2AMEN1ALDH1A1TSHR | |
| SCHEMBL27327480 | 0.76 | SMN1; SMN2 (0.40) | KMT2AMEN1ALDH1A1TSHR |
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 |