Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL2675205 | 1.00 | ALDH1A1 (0.61) | ALDH1A1TSHRTDP1 | |
| Acetonitrile SCHEMBL1109948 | 1.00 | — | — | |
| Acetonitrile SCHEMBL28358952 | 0.93 | ALDH1A1 (0.53) | ALDH1A1 | |
| Acetonitrile SCHEMBL28397723 | 0.93 | ALDH1A1 (0.53) | ALDH1A1 | |
| Water SCHEMBL27670184 | 0.83 | ALDH1A1 (0.89) | ALDH1A1TSHRTDP1 | |
| Water SCHEMBL2652847 | 0.83 | — | — | |
| Water SCHEMBL10335432 | 0.83 | — | — | |
| Hexane SCHEMBL2675802 | 0.83 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1 | |
| Hexane SCHEMBL8597024 | 0.83 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1 | |
| Ammonia Solution, Strong SCHEMBL26699157 | 0.79 | — | — |
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-3452469-A1 | FLUOROALKYL-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2019-03-13 | — | — | EP | disclosed |
| WO-2017191112-A1 | FLUOROALKYL-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-11-09 | — | — | WO | disclosed |