Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3883739 | 0.88 | TSHR (0.41) | TSHRALDH1A1 | |
| SCHEMBL5529837 | 0.81 | CYP1A2 (0.36) | TSHRALDH1A1CYP1A2 | |
| SCHEMBL2817068 | 0.81 | TSHR (0.38) | TSHRALDH1A1 | |
| SCHEMBL409640 | 0.80 | TSHR (0.37) | TSHRALDH1A1 | |
| SCHEMBL6570452 | 0.77 | TSHR (0.41) | TSHRALDH1A1 | |
| SCHEMBL93248 | 0.77 | ALDH1A1 (0.38) | TSHRALDH1A1CYP3A4CYP2C19 | |
| Fluoride SCHEMBL7527631 | 0.77 | ALDH1A1 (0.38) | TSHRALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL9807347 | 0.77 | TSHR (0.35) | TSHRALDH1A1 | |
| Ethane SCHEMBL28247372 | 0.75 | ALDH1A1 (0.37) | TSHRALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL28167884 | 0.74 | TDP1 (0.39) | TSHRALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5068264-A | Adhesives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-11-26 | — | — | US | claimed |
| JP-3002175-A | — | — | None | — | — | JP | disclosed |
| US-5068264-A | Adhesives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-11-26 | — | — | US | disclosed |
| JP-H032175-A | NEW PIPERAZINE GROUP-CONTAINING (METH)ACRYLIC ACID DERIVATIVE | BAYER AG | 1991-01-08 | — | — | JP | disclosed |