Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 4/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3306584 | 0.84 | SMN1; SMN2 (0.54) | ABCB1ABCG2MEN1KMT2ARAB9A | |
| SCHEMBL5270439 | 0.79 | SMN1; SMN2 (0.47) | MEN1KMT2ARAB9AKDM4EALDH1A1 | |
| SCHEMBL29408555 | 0.78 | AR (0.50) | KDM4EL3MBTL1ALDH1A1GAATSHR | |
| SCHEMBL3871304 | 0.78 | AR (0.50) | KDM4EL3MBTL1ALDH1A1GAATSHR | |
| SCHEMBL6887266 | 0.77 | AOC3 (0.45) | KDM4EL3MBTL1ALDH1A1GAAAOC3 | |
| SCHEMBL18708979 | 0.77 | HTR1A (0.50) | ABCB1ABCG2AOC3 | |
| SCHEMBL22800045 | 0.77 | IDO1 (0.52) | L3MBTL1ALDH1A1GAAAOC3CA12 | |
| SCHEMBL3301381 | 0.76 | ABCB1 (0.60) | ABCB1ABCG2MEN1KMT2AKDM4E | |
| Nitrogen SCHEMBL10986776 | 0.75 | SMN1; SMN2 (0.44) | MEN1KMT2ARAB9AKDM4EALDH1A1 | |
| SCHEMBL27343013 | 0.75 | AOC3 (0.57) | ABCB1AOC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6730628-B2 | TRIMERIZING AT LEAST ONE DIISOCYANATE IN THE PRESENCE OF 0.04-2% BY WEIGHT OF A TRIMERIZATION CATALYST CONTAINING A QUATERNARY OR AMINE SALT HAVING HYDROXY GROUPS | DEGUSSA AG (DE) | 2004-05-04 | — | — | US | disclosed |