Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16268509 | 0.94 | TP53 (0.49) | TP53TSHRBCHEACHETYR | |
| SCHEMBL29487262 | 0.93 | TSHR (0.61) | TP53TSHRTYRIDO1ACACB | |
| SCHEMBL1148 | 0.93 | TSHR (0.61) | TP53TSHRTYRIDO1ACACB | |
| SCHEMBL31412800 | 0.91 | TP53 (0.63) | TP53TSHRIDO1ACACBMAPT | |
| SCHEMBL227153 | 0.91 | TP53 (0.63) | TP53TSHRIDO1ACACBMAPT | |
| SCHEMBL2400864 | 0.83 | TSHR (0.51) | TP53TSHRTYRIDO1ACACB | |
| 2-Methylpentanal SCHEMBL4778956 | 0.83 | TSHR (0.51) | TP53TSHRTYRIDO1ACACB | |
| SCHEMBL5478656 | 0.83 | TP53 (0.42) | TP53TSHRBCHEACHETYR | |
| SCHEMBL8343428 | 0.80 | TSHR (0.49) | TP53TSHRTYRIDO1ACACB | |
| SCHEMBL11479345 | 0.78 | TSHR (0.58) | TP53TSHRPTGS1PTGS2LMNA |
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-20210130747-A1 | Production Of Perfume-Containing Shaped Bodies | HENKEL AG & CO. KGAA (DE) | 2021-05-06 | — | — | US | disclosed |