Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8302373 | 0.85 | HPGD (0.48) | HPGDTDP1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL8305705 | 0.79 | EPHX1 (0.45) | CYP1A2CYP2C19MAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL26330804 | 0.76 | HPGD (0.72) | HPGDTDP1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL4561568 | 0.74 | KDM4E (0.49) | HPGDTDP1KMT2AMEN1TSHR | |
| SCHEMBL8303021 | 0.74 | ALDH1A1 (0.47) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL703098 | 0.72 | HPGD (0.62) | HPGDTDP1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL17874105 | 0.72 | RIPK1 (0.61) | HPGDKMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19435055 | 0.72 | RIPK1 (0.61) | HPGDKMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20045534 | 0.72 | HPGD (0.46) | HPGDKMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14303692 | 0.71 | HPGD (0.61) | HPGDTDP1KMT2ACYP1A2CYP2C9 |
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-2004085661-A2 | PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES | MERCK & CO., INC (US) | 2004-10-07 | — | — | WO | disclosed |