Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28072654 | 0.86 | TSHR (0.42) | BBOX1TSHRCYP3A4TDP1MAPT | |
| SCHEMBL9285259 | 0.84 | CYP3A4 (0.37) | BBOX1TSHRCYP3A4TDP1MAPT | |
| Bicarbonate SCHEMBL28241060 | 0.82 | CYP3A4 (0.36) | BBOX1TSHRCYP3A4TDP1MAPT | |
| SCHEMBL27266183 | 0.81 | CYP3A4 (0.43) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL4787194 | 0.81 | — | — | |
| SCHEMBL17289283 | 0.81 | CYP3A4 (0.43) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| Potassium Ion SCHEMBL4803276 | 0.81 | — | — | |
| SCHEMBL175471 | 0.81 | CYP3A4 (0.43) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| Bicarbonate SCHEMBL27839134 | 0.81 | BBOX1 (0.50) | BBOX1TSHRALDH1A1 | |
| Lithium Ion SCHEMBL744339 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105829375-A | Allophanate-isocyanurateing catalyst, polyisocyanate composition, method for producing the composition, and two-component coating composition | 东曹株式会社 | 2016-08-03 | — | — | CN | disclosed |