Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | F13A1 | P00488 | 1/20 | 0.45 |
| ▸ | TGM2 | P21980 | 1/20 | 0.45 |
| ▸ | TGM1 | P22735 | 1/20 | 0.45 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.43 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.43 |
| ▸ | TPSG1 | Q9NRR2 | 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 | |
|---|---|---|---|---|
| SCHEMBL15000934 | 1.00 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| SCHEMBL12525688 | 0.93 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| SCHEMBL15000931 | 0.92 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| SCHEMBL21996971 | 0.89 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL31752785 | 0.87 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| SCHEMBL871462 | 0.85 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| SCHEMBL12526670 | 0.85 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL31752799 | 0.83 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| SCHEMBL30706248 | 0.83 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| SCHEMBL30014842 | 0.82 | SMN1; SMN2 (0.62) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3002278-B1 | GUANIDINE COMPOUND | ASTELLAS PHARMA INC (JP) | 2017-04-19 | — | — | EP | disclosed |