Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11422053 | 0.87 | — | — | |
| SCHEMBL17761061 | 0.82 | TP53 (0.36) | TP53 | |
| SCHEMBL30107911 | 0.82 | TP53 (0.36) | KDM4EHIF1ATP53LMNAADRB2 | |
| SCHEMBL21474430 | 0.77 | ANPEP (0.30) | — | |
| SCHEMBL28855634 | 0.76 | TP53 (0.48) | TP53LMNAMAPK1 | |
| SCHEMBL7947234 | 0.75 | — | — | |
| SCHEMBL2803872 | 0.75 | — | — | |
| SCHEMBL2513923 | 0.74 | CYP2D6 (0.34) | GAACYP2D6CYP2C19TDP1 | |
| SCHEMBL3376532 | 0.73 | — | — | |
| SCHEMBL3381681 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118382655-A | Water-soluble polyisocyanate and water-soluble transparent coating composition containing same | 株式会社KCC | 2024-07-23 | — | — | CN | claimed |
| US-20210130530-A1 | IONICALLY HYDROPHILIZED POLYISOCYANATES WITH IMPROVED DRYING | COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) | 2021-05-06 | — | — | US | claimed |
| CN-118382655-A | Water-soluble polyisocyanate and water-soluble transparent coating composition containing same | 株式会社KCC | 2024-07-23 | — | — | CN | disclosed |