Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8163505 | 0.89 | ACHE (0.50) | SMN1; SMN2NPC1TP53RAB9AKDM4E | |
| SCHEMBL29968685 | 0.89 | ACHE (0.50) | SMN1; SMN2NPC1TP53RAB9AKDM4E | |
| SCHEMBL7619840 | 0.87 | LMNA (0.50) | SMN1; SMN2NPC1RAB9AACHEMAOB | |
| SCHEMBL12091328 | 0.82 | ACHE (0.56) | NPC1RAB9ATSHRRELAACHE | |
| SCHEMBL5618905 | 0.81 | ACHE (0.65) | NPC1RAB9ATSHRRELAACHE | |
| SCHEMBL5619669 | 0.81 | ACHE (0.65) | NPC1RAB9ATSHRRELAACHE | |
| SCHEMBL13321943 | 0.78 | LTA4H (0.55) | SMN1; SMN2NPC1RAB9ARELAACHE | |
| SCHEMBL25797519 | 0.78 | MAPT (0.46) | SMN1; SMN2NPC1RAB9AACHEMAPT | |
| SCHEMBL25030855 | 0.76 | ACHE (0.48) | SMN1; SMN2NPC1TP53RAB9AKDM4E | |
| SCHEMBL11890182 | 0.76 | LTA4H (0.52) | SMN1; SMN2NPC1RAB9AACHEMAPT |
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-5488172-A | Chiral phosphorus compounds | HOFFMANN-LA ROCHE INC. (US) | 1996-01-30 | — | — | US | disclosed |