Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 2/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9745422 | 0.79 | MAPK1 (0.33) | MAPK1TSHRTAAR1ALDH1A1ALOX15 | |
| SCHEMBL31352841 | 0.72 | ALDH1A1 (0.37) | MAPK1TSHRTAAR1ALDH1A1ALOX15 | |
| SCHEMBL31558571 | 0.72 | MAPK1 (0.42) | MAPK1TSHRTAAR1ALDH1A1ALOX15 | |
| SCHEMBL9746278 | 0.72 | TP53 (0.32) | TAAR1SLC6A2 | |
| SCHEMBL9746333 | 0.72 | RIPK1 (0.31) | — | |
| Bromide SCHEMBL28375499 | 0.70 | ESR1 (0.36) | MAPK1TSHRTAAR1ALDH1A1ALOX15 | |
| SCHEMBL9746401 | 0.69 | TSHR (0.37) | TSHRALDH1A1LMNAALOX12ACHE | |
| SCHEMBL8147062 | 0.69 | TSHR (0.37) | TSHRALDH1A1LMNAALOX12ACHE | |
| SCHEMBL6908951 | 0.69 | TSHR (0.37) | TSHRALDH1A1LMNAALOX12ACHE | |
| SCHEMBL9746489 | 0.69 | TP53 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6429327-B1 | REACTING ORGANOSILANE WITH ALKYLMAGNESIUM HALIDE IN PRESENCE OF MIXED COPPER HALIDE CATALYST; SILANATION, DEHALOGENATION, ALKYLATION, CALALYSIS | FMC CORPORATION | 2002-08-06 | — | — | US | disclosed |
| US-5100762-A | Radiation-sensitive polymer and radiation-sensitive composition containing the same | MITSUBISHI DENKI KABUSHIKI KAISHA (JP) | 1992-03-31 | — | — | US | disclosed |