Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9155166 | 0.81 | TAS1R3 (0.63) | TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E | |
| SCHEMBL22449342 | 0.81 | GRM5 (0.56) | ALDH1A1GAAKDM4ESMN1; SMN2RAB9A | |
| SCHEMBL26655975 | 0.78 | ALDH1A1 (0.49) | TAS1R3TAS1R1TAS1R2ALDH1A1GAA | |
| SCHEMBL9153874 | 0.78 | TAS1R3 (0.44) | TAS1R3TAS1R1TAS1R2ALDH1A1GAA | |
| SCHEMBL9157091 | 0.78 | HSD11B1 (0.48) | TAS1R3TAS1R1TAS1R2ALDH1A1GAA | |
| SCHEMBL3165964 | 0.78 | ALDH1A1 (0.68) | ALDH1A1GAAKDM4ELMNASMN1; SMN2 | |
| SCHEMBL4736777 | 0.77 | SIGMAR1 (0.43) | TAS1R3TAS1R1TAS1R2ALDH1A1GAA | |
| SCHEMBL31583752 | 0.76 | P2RX7 (0.58) | ALDH1A1GAAKDM4ELMNASMN1; SMN2 | |
| SCHEMBL6063992 | 0.72 | P2RX7 (0.54) | ALDH1A1GAAKDM4ELMNASMN1; SMN2 | |
| SCHEMBL27894457 | 0.71 | SMN1; SMN2 (0.56) | ALDH1A1GAAKDM4ELMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008081017-A1 | NEW N-ALKYNYLCARBOXAMIDE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2008-07-10 | — | — | WO | disclosed |