Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CCR6 | P51684 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12391229 | 0.83 | ALDH1A1 (0.39) | CYP1A2ALDH1A1TDP1CYP3A4HTT | |
| SCHEMBL15613249 | 0.78 | ALDH1A1 (0.35) | CYP1A2ALDH1A1CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL11211537 | 0.75 | ALDH1A1 (0.42) | CYP1A2ALDH1A1TDP1CYP3A4HTT | |
| SCHEMBL12207825 | 0.72 | HTT (0.35) | CYP1A2ALDH1A1TDP1CYP3A4HTT | |
| SCHEMBL1428071 | 0.72 | ERN1 (0.46) | ALDH1A1CYP3A4MAPTHSD17B10 | |
| SCHEMBL12446507 | 0.72 | HTT (0.36) | CYP1A2ALDH1A1TDP1CYP3A4HTT | |
| SCHEMBL13464846 | 0.72 | PDK1 (0.35) | — | |
| SCHEMBL12391226 | 0.71 | CYP1A2 (0.37) | CYP1A2ALDH1A1TDP1CYP3A4HTT | |
| SCHEMBL12597663 | 0.71 | ALDH1A1 (0.33) | ALDH1A1TDP1CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL29016889 | 0.71 | DAO (0.55) | ALDH1A1TDP1TSHRMAPTPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118451079-A | Benzopiperidine derivative modulators, methods of preparation and uses thereof | 上海翰森生物医药科技有限公司 | 2024-08-06 | — | — | CN | disclosed |
| WO-2023125935-A1 | BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |