Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | GRIN2B | Q13224 | 8/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.48 |
| ▸ | F13A1 | P00488 | 1/20 | 0.47 |
| ▸ | TGM2 | P21980 | 1/20 | 0.47 |
| ▸ | TGM1 | P22735 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6901635 | 0.86 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL6899994 | 0.84 | TGM2 (0.69) | ENPP2F13A1TGM2TGM1 | |
| SCHEMBL25702011 | 0.82 | SMN1; SMN2 (0.64) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL696467 | 0.80 | SMN1; SMN2 (0.69) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL6901323 | 0.80 | MEN1 (0.54) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL15747803 | 0.80 | SMN1; SMN2 (0.64) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| Hydrochloric Acid SCHEMBL16343926 | 0.79 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| Hydrochloric Acid SCHEMBL2515606 | 0.79 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL3086491 | 0.79 | SMN1; SMN2 (0.70) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL18632803 | 0.79 | SMN1; SMN2 (0.62) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B |
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 |