Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15315666 | 0.93 | SIGMAR1 (0.40) | SIGMAR1RAB9AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL15315667 | 0.83 | ALDH1A1 (0.37) | SIGMAR1RAB9AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL1146398 | 0.80 | SIGMAR1 (0.42) | SIGMAR1RAB9AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL1146396 | 0.80 | SIGMAR1 (0.42) | SIGMAR1RAB9AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL15020110 | 0.76 | — | — | |
| SCHEMBL15039672 | 0.76 | — | — | |
| SCHEMBL15062839 | 0.76 | SIGMAR1 (0.40) | SIGMAR1RAB9AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL17253282 | 0.74 | DNM1 (0.34) | KDM4EMEN1POLBKMT2ATNIK | |
| SCHEMBL15020340 | 0.74 | DNM1 (0.34) | KDM4EMEN1POLBKMT2ATNIK | |
| SCHEMBL15020178 | 0.74 | DNM1 (0.34) | KDM4EMEN1POLBKMT2ATNIK |
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-2012084817-A2 | DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE | L'OREAL (FR) | 2012-06-28 | — | — | WO | disclosed |