Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C1R | P00736 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18933884 | 0.78 | S100A4 (0.51) | LMNATSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18474668 | 0.77 | C1R (0.41) | C1RCYP2A6LMNATSHRPDK2 | |
| SCHEMBL30476137 | 0.77 | CYP2A6 (0.44) | CYP2A6LMNATSHRCYP1A2NPC1 | |
| SCHEMBL28638926 | 0.77 | CYP2A6 (0.44) | CYP2A6LMNATSHRCYP1A2NPC1 | |
| SCHEMBL18938349 | 0.77 | LDHA (0.43) | C1RCYP2A6LMNATSHRPDK2 | |
| SCHEMBL22884197 | 0.77 | PTGES (0.33) | SMN1; SMN2 | |
| SCHEMBL22884450 | 0.77 | PTGES (0.33) | C1RCYP1A2SMN1; SMN2 | |
| SCHEMBL22884455 | 0.75 | C1R (0.35) | C1RCYP2A6PDK2CYP1A2SMN1; SMN2 | |
| SCHEMBL4961126 | 0.74 | IDO1 (0.41) | C1RCYP2A6LMNATSHRPDK2 | |
| SCHEMBL22883881 | 0.74 | ADORA2A (0.33) | C1RADORA2AALDH1A1HSD11B1 |
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-2011061439-A1 | CATALYTIC PHOSPHINATION METHOD | UNIVERSITE DE STRASBOURG (FR) | 2011-05-26 | — | — | WO | disclosed |