Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTA1 | P08263 | 2/20 | 0.45 |
| ▸ | LIG1 | P18858 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2892473 | 0.81 | ALDH1A1 (0.43) | HPGDALDH1A1ESRRAGAA | |
| SCHEMBL947216 | 0.77 | KMT2A (0.48) | HPGDALDH1A1SMN1; SMN2NAPRTLMNA | |
| SCHEMBL15796454 | 0.76 | GAA (0.41) | HPGDKDM4EALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28923935 | 0.76 | ESR1 (0.38) | HPGDKDM4EALDH1A1NAPRTHTT | |
| Hydrogen Sulfide SCHEMBL11219494 | 0.75 | — | — | |
| SCHEMBL30148543 | 0.74 | LIG1 (0.46) | GSTA1LIG1HPGDKDM4EALDH1A1 | |
| SCHEMBL21816437 | 0.72 | KMT2A (0.53) | KDM4EALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL10757233 | 0.72 | MEN1 (0.51) | HPGDKDM4EALDH1A1SMN1; SMN2HTT | |
| SCHEMBL30414952 | 0.72 | TSHR (0.41) | GSTA1LIG1HPGDKDM4EALDH1A1 | |
| 2,2'-Dihydroxybenzphenone SCHEMBL18422 | 0.72 | HPGD (0.67) | GSTA1LIG1HPGDKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1024668-C | Preparation method of 2- (2-isoxazolidinyl) -2-tetrahydrofuran carboxylic acid derivative | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-05-25 | — | — | CN | disclosed |
| CN-85109633-A | Process for the preparation of antibiotic derivatives | — | 1987-01-07 | — | — | CN | disclosed |