Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7033812 | 1.00 | ALDH1A1 (0.45) | ALDH1A1CYP3A4ALOX15TSHRHSD17B10 | |
| SCHEMBL11043636 | 0.82 | ALDH1A1 (0.47) | ALDH1A1CYP3A4ALOX15TSHRHSD17B10 | |
| SCHEMBL6315777 | 0.80 | MMP2 (0.46) | ALDH1A1CYP3A4ALOX15TSHRHSD17B10 | |
| SCHEMBL1606115 | 0.77 | MAPT (0.41) | ALDH1A1TDP1SMN1; SMN2LMNANPC1 | |
| SCHEMBL28918347 | 0.76 | NPC1 (0.40) | ALDH1A1NPC1RAB9ACA9CYP1A2 | |
| SCHEMBL2386760 | 0.76 | TDP1 (0.52) | ALDH1A1CYP3A4ALOX15TSHRHSD17B10 | |
| SCHEMBL2388601 | 0.76 | TDP1 (0.52) | ALDH1A1CYP3A4ALOX15TSHRHSD17B10 | |
| SCHEMBL22975088 | 0.75 | HDAC1 (0.48) | ALDH1A1CYP3A4ALOX15TSHRHSD17B10 | |
| SCHEMBL1899338 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CYP3A4ALOX15TSHRHSD17B10 | |
| SCHEMBL1454381 | 0.74 | TDP1 (0.54) | ALDH1A1CYP3A4ALOX15TSHRHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3824009-A1 | IONICALLY HYDROPHILIZED POLYISOCYANATES WITH IMPROVED DRYING | Covestro Intellectual Property GmbH & Co. KG (DE) | 2021-05-26 | — | — | EP | disclosed |
| WO-2020016116-A1 | IONICALLY HYDROPHILIZED POLYISOCYANATES WITH IMPROVED DRYING | COVESTRO DEUTSCHLAND AG (DE) | 2020-01-23 | — | — | WO | disclosed |