Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 4/20 | 0.43 |
| ▸ | ACACA | Q13085 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18320474 | 0.87 | ACACB (0.45) | ALDH2MAOAMAOBACACBACACA | |
| SCHEMBL14166366 | 0.87 | ACACB (0.46) | MAOAMAOBACACBACACASMN1; SMN2 | |
| SCHEMBL14166208 | 0.86 | ACACB (0.45) | ACACBACACASMN1; SMN2TSHRGPBAR1 | |
| SCHEMBL11941563 | 0.81 | ALDH1A1 (0.52) | ACACBACACASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL13645796 | 0.81 | L3MBTL1 (0.49) | ALDH2MAOAMAOBSMN1; SMN2KDM4E | |
| SCHEMBL4682048 | 0.79 | ACACB (0.48) | ACACBACACASMN1; SMN2TSHRGPBAR1 | |
| SCHEMBL5674440 | 0.78 | CYP4F2 (0.41) | MAOAMAOBACACBACACASMN1; SMN2 | |
| SCHEMBL696146 | 0.78 | FFAR1 (0.47) | ALDH2MAOAMAOBACACBACACA | |
| SCHEMBL3744988 | 0.78 | MEN1 (0.49) | ACACBACACASMN1; SMN2TSHRGPBAR1 | |
| SCHEMBL16902876 | 0.76 | TSHR (0.54) | SMN1; SMN2TSHRGPBAR1CYSLTR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016202894-A1 | METHOD OF CONVERTING ALCOHOL TO HALIDE | UNIVERSITAET DES SAARLANDES (DE) | 2016-12-22 | — | — | WO | disclosed |
| WO-2016202894-A1 | METHOD OF CONVERTING ALCOHOL TO HALIDE | UNIVERSITAET DES SAARLANDES (DE) | 2016-12-22 | — | — | WO | disclosed |