Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL278333 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TSHRTP53MDM2MEN1 | |
| SCHEMBL22289462 | 0.85 | TSHR (0.50) | ALDH1A1TSHRALOX5TP53MDM2 | |
| SCHEMBL19248450 | 0.83 | POLB (0.52) | ALDH1A1TSHRMEN1KMT2APOLB | |
| SCHEMBL17693406 | 0.79 | ALDH1A1 (0.57) | ALDH1A1TSHRTP53MDM2MEN1 | |
| SCHEMBL10374139 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRALOX5ESR2TP53 | |
| SCHEMBL4299568 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TSHRTP53MDM2POLB | |
| SCHEMBL273028 | 0.76 | ALDH1A1 (0.53) | ALDH1A1TSHRALOX5TP53MDM2 | |
| SCHEMBL4301950 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TSHRTP53MDM2POLB | |
| SCHEMBL18066379 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TSHRTP53MDM2MEN1 | |
| SCHEMBL17867344 | 0.74 | ALDH1A1 (0.71) | ALDH1A1TSHRTP53MDM2POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016017840-A1 | PAIN RELIEVING OR THERAPEUTIC AGENT CONTAINING GASTRODIA ELATA EXTRACT | 안국약품 주식회사 | 2016-02-04 | — | — | WO | claimed |
| WO-2016017840-A1 | PAIN RELIEVING OR THERAPEUTIC AGENT CONTAINING GASTRODIA ELATA EXTRACT | 안국약품 주식회사 | 2016-02-04 | — | — | WO | disclosed |
| WO-2016017840-A1 | PAIN RELIEVING OR THERAPEUTIC AGENT CONTAINING GASTRODIA ELATA EXTRACT | 안국약품 주식회사 | 2016-02-04 | — | — | WO | disclosed |