Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | PPID | Q08752 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6232558 | 0.88 | HPGD (0.44) | TSHRHPGDALDH1A1KMT2AHSD17B10 | |
| SCHEMBL6234894 | 0.84 | TSHR (0.50) | TSHRGAACYP2C19HPGDALDH1A1 | |
| SCHEMBL6238994 | 0.84 | HPGD (0.42) | TSHRGAAHPGDALDH1A1KMT2A | |
| SCHEMBL6240573 | 0.83 | HPGD (0.41) | TSHRHPGDALDH1A1NPSR1PKM | |
| SCHEMBL6157724 | 0.81 | HSD11B1 (0.44) | TSHRGAACYP2C19ALDH1A1KMT2A | |
| SCHEMBL10487933 | 0.80 | GAA (0.48) | TSHRGAACYP2C19ALDH1A1NPSR1 | |
| SCHEMBL6157266 | 0.79 | ALDH1A1 (0.39) | TSHRGAACYP2C19ALDH1A1NPSR1 | |
| SCHEMBL7242401 | 0.78 | CA1 (0.54) | TSHRALDH1A1PPIDNPC1 | |
| SCHEMBL7233591 | 0.78 | CA1 (0.54) | TSHRALDH1A1PPIDNPC1 | |
| SCHEMBL5828117 | 0.78 | CA1 (0.54) | TSHRALDH1A1PPIDNPC1 |
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-2005005375-A1 | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-20 | — | — | WO | claimed |
| WO-2005005375-A1 | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-20 | — | — | WO | disclosed |