Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.33 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL1149137 | 1.00 | KDM1A (0.39) | KDM1ACYP3A4ALDH1A1HPGDTDP1 | |
| SCHEMBL5799704 | 0.82 | KDM1A (0.39) | KDM1ACYP3A4ALDH1A1HPGDTDP1 | |
| SCHEMBL30673509 | 0.82 | KDM1A (0.39) | KDM1ACYP3A4ALDH1A1HPGDTDP1 | |
| SCHEMBL9235250 | 0.81 | CYP3A4 (0.49) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL3104369 | 0.80 | CYP3A4 (0.50) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL30438763 | 0.80 | IDO1 (0.39) | CYP3A4ALDH1A1HPGDTDP1HCAR1 | |
| SCHEMBL424482 | 0.80 | IDO1 (0.39) | CYP3A4ALDH1A1HPGDTDP1HCAR1 | |
| SCHEMBL10905501 | 0.80 | CES2 (0.46) | CYP3A4ALDH1A1HPGDTDP1HCAR1 | |
| SCHEMBL31135862 | 0.80 | CES2 (0.46) | CYP3A4ALDH1A1HPGDTDP1HCAR1 | |
| SCHEMBL162277 | 0.79 | RAB9A (0.40) | CYP3A4ALDH1A1HPGDTDP1HCAR1 |
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-112020525-B | Adducts of amine catalysts for preparing isocyanurate polymers | 科思创知识产权两合公司 | 2023-05-16 | — | — | CN | disclosed |
| EP-3997149-A1 | POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE | Covestro Intellectual Property GmbH & Co. KG (DE) | 2022-05-18 | — | — | EP | disclosed |