Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 4/20 | 0.68 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.40 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.40 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.40 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Formamide SCHEMBL6824631 | 0.85 | CASP1 (0.77) | CASP1TSHRALDH1A1TDP1MAPT | |
| SCHEMBL15010 | 0.82 | — | — | |
| SCHEMBL29354063 | 0.82 | — | — | |
| SCHEMBL5956120 | 0.82 | CASP1 (1.00) | CASP1TSHRALDH1A1TDP1MAPT | |
| Formic Acid Methyl Ester SCHEMBL23716948 | 0.81 | ALDH1A1 (0.42) | CASP1TSHRALDH1A1TDP1MAPT | |
| Formic Acid Methyl Ester SCHEMBL28165664 | 0.81 | CYP3A4 (0.70) | CASP1TSHRALDH1A1TDP1MAPT | |
| Hydrochloric Acid SCHEMBL7132403 | 0.80 | CASP1 (0.94) | CASP1TSHRALDH1A1TDP1MAPT | |
| Water SCHEMBL28815175 | 0.80 | CASP1 (0.94) | CASP1TSHRALDH1A1TDP1MAPT | |
| SCHEMBL30584238 | 0.80 | CASP1 (0.94) | CASP1TSHRALDH1A1TDP1MAPT | |
| SCHEMBL9653420 | 0.80 | CASP1 (0.94) | CASP1TSHRALDH1A1TDP1MAPT |
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-114917879-A | Polymer-MOFs composite material and preparation method and application thereof | 广东美的白色家电技术创新中心有限公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-107473989-B | Method for preparing methyl carbamate by catalytic conversion of methanol | 中国科学院大连化学物理研究所 | 2020-04-28 | — | — | CN | disclosed |