Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | F13A1 | P00488 | 1/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.46 |
| ▸ | TGM1 | P22735 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6901702 | 0.86 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL1872545 | 0.82 | F13A1 (0.67) | SMN1; SMN2NPC1RAB9ACYP2C19SIGMAR1 | |
| SCHEMBL21227845 | 0.81 | SIGMAR1 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19SIGMAR1 | |
| SCHEMBL6901859 | 0.81 | KMT2A (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL15747761 | 0.81 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL6899994 | 0.79 | TGM2 (0.69) | F13A1TGM2TGM1ENPP2 | |
| SCHEMBL22589573 | 0.79 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL25702011 | 0.78 | SMN1; SMN2 (0.64) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL6901844 | 0.78 | CTSL (0.53) | SIGMAR1F13A1TGM2TGM1MEN1 | |
| SCHEMBL1025659 | 0.77 | RAB9A (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B |
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-2011060321-A1 | TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI, INC. (US) | 2011-05-19 | — | — | WO | disclosed |