Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.36 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL108348 | 0.87 | TSHR (0.56) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL4112710 | 0.82 | TSHR (0.50) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL4365155 | 0.80 | TSHR (0.48) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| Hydrochloric Acid SCHEMBL28149942 | 0.80 | TSHR (0.48) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL16229093 | 0.78 | TSHR (0.57) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| Hydrochloric Acid SCHEMBL22264046 | 0.77 | TSHR (0.45) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL7612252 | 0.77 | TSHR (0.45) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL17063630 | 0.77 | TSHR (0.45) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL1869231 | 0.75 | TSHR (0.52) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL8446187 | 0.75 | — | — |
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-5236993-A | Using epichlorohydrin | ISP INVESTMENTS INC. (US) | 1993-08-17 | — | — | US | disclosed |