Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 11/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 11/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 11/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MLNR | O43193 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL120454 | 0.93 | ALDH1A1 (0.61) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL120453 | 0.87 | ALDH1A1 (0.56) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL446204 | 0.83 | ADRB2 (0.63) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL29613210 | 0.83 | ADRB2 (0.63) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL17629569 | 0.83 | ADRB2 (0.63) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL17629572 | 0.83 | ADRB2 (0.63) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL28305861 | 0.83 | ALDH1A1 (0.55) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL30002317 | 0.82 | ADRB2 (0.68) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL15736 | 0.82 | ALDH1A1 (0.58) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL29875753 | 0.82 | ALDH1A1 (0.58) | ALDH1A1TSHRADRB2ADRB1ADRB3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5451654-A | Addition polymerization catalyst | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1995-09-19 | — | — | US | disclosed |
| US-5387654-A | Hydroxy-peroxides and their uses | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1995-02-07 | — | — | US | disclosed |
| EP-0381135-B1 | Novel hydroxy-peroxides and their uses | ATOCHEM NORTH AMERICA (US) | 1994-06-01 | — | — | EP | disclosed |
| US-5304649-A | Curing agent for unsaturated polyesters | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1994-04-19 | — | — | US | disclosed |
| EP-0381135-A2 | Novel hydroxy-peroxides and their uses | ATOCHEM NORTH AMERICA, INC. (US) | 1990-08-08 | — | — | EP | disclosed |