Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | HPGD | P15428 | 7/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL26603318 | 0.91 | ALDH1A1 (0.69) | ALDH1A1HPGDHSD17B10GAACYP1A2 | |
| SCHEMBL26603300 | 0.90 | GAA (0.80) | ALDH1A1HPGDHSD17B10GAACYP1A2 | |
| SCHEMBL30626150 | 0.90 | GAA (0.80) | ALDH1A1HPGDHSD17B10GAACYP1A2 | |
| SCHEMBL26603562 | 0.90 | ALDH1A1 (0.67) | ALDH1A1HPGDHSD17B10GAACYP1A2 | |
| SCHEMBL26603455 | 0.90 | ALDH1A1 (0.67) | ALDH1A1HPGDHSD17B10GAACYP1A2 | |
| SCHEMBL26603572 | 0.90 | ALDH1A1 (0.67) | ALDH1A1HPGDHSD17B10GAACYP1A2 | |
| SCHEMBL26603483 | 0.90 | ALDH1A1 (0.67) | ALDH1A1HPGDHSD17B10GAACYP1A2 | |
| SCHEMBL30709211 | 0.89 | GAA (0.68) | ALDH1A1HPGDHSD17B10GAACYP1A2 | |
| SCHEMBL26603377 | 0.89 | GAA (0.68) | ALDH1A1HPGDHSD17B10GAACYP1A2 | |
| SCHEMBL30709148 | 0.89 | ALDH1A1 (0.66) | ALDH1A1HPGDHSD17B10GAACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023202582-A1 | GPCR REGULATOR AND USE THEREOF | 北京昌平实验室 | 2023-10-26 | — | — | WO | disclosed |
| CN-116903563-A | GPCR modulators and uses thereof | 北京昌平实验室 | 2023-10-20 | — | — | CN | disclosed |