Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL8306001 | 0.85 | HPGD (0.49) | HPGDTSHRTDP1CYP1A2CYP3A4 | |
| SCHEMBL8303027 | 0.81 | EPHX1 (0.51) | CYP2C19EPHX1 | |
| SCHEMBL17945538 | 0.75 | NPC1 (0.49) | HPGDTSHRDPP7TDP1CYP1A2 | |
| SCHEMBL17945842 | 0.73 | CHRM1 (0.46) | HPGDDPP7TDP1NPC1GAA | |
| SCHEMBL26330804 | 0.72 | HPGD (0.72) | HPGDTSHRTDP1CYP1A2CYP3A4 | |
| Acetic Acid SCHEMBL6705363 | 0.71 | DPP4 (0.62) | HPGDTSHRDPP7TDP1CYP3A4 | |
| SCHEMBL7319741 | 0.70 | NPC1 (0.51) | HPGDTSHRTDP1CYP1A2CYP3A4 | |
| SCHEMBL7319738 | 0.70 | NPC1 (0.51) | HPGDTSHRTDP1NPC1GAA | |
| SCHEMBL8305615 | 0.69 | CNR2 (0.46) | HPGDTSHRGAAKMT2AMEN1 | |
| SCHEMBL703098 | 0.69 | HPGD (0.62) | HPGDTSHRTDP1CYP1A2CYP3A4 |
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 |