Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL28823233 | 0.88 | TSHR (0.65) | TSHRMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL8701176 | 0.86 | TSHR (0.62) | TSHRMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL19520 | 0.84 | TSHR (0.70) | TSHRALDH1A1IDO1AGXTCA1 | |
| SCHEMBL30397113 | 0.82 | TSHR (0.67) | TSHRALDH1A1IDO1AGXTCA1 | |
| SCHEMBL10660158 | 0.82 | TSHR (0.67) | TSHRALDH1A1IDO1AGXTCA1 | |
| Phosphine SCHEMBL7705717 | 0.82 | TSHR (0.67) | TSHRALDH1A1IDO1AGXTCA1 | |
| Hydrochloric Acid SCHEMBL28406455 | 0.80 | TSHR (0.64) | TSHRALDH1A1IDO1AGXTCA1 | |
| Dioxane SCHEMBL8701185 | 0.80 | TSHR (0.71) | TSHRMEN1KMT2ANPSR1ALDH1A1 | |
| Magnesium Chloride Anhydrous SCHEMBL28406453 | 0.78 | TSHR (0.61) | TSHRALDH1A1IDO1AGXTCA1 | |
| (Chloromethyl)Benzene SCHEMBL27762297 | 0.78 | FKBP1A (0.41) | TSHRMEN1KMT2ANPSR1ALDH1A1 |
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-111056918-B | Preparation method of (S) -1,2,4-butanetriol | 上海科利生物医药有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-111056918-A | Preparation method of (S) -1,2, 4-butanetriol | 上海科利生物医药有限公司 | 2020-04-24 | — | — | CN | disclosed |