Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | F13A1 | P00488 | 1/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | TGM1 | P22735 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2806846 | 1.00 | SMN1; SMN2 (0.47) | SMN1; SMN2NPC1RAB9ACYP2C19CCR5 | |
| SCHEMBL2804463 | 0.91 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19CCR5 | |
| SCHEMBL2804464 | 0.91 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19CCR5 | |
| SCHEMBL8044664 | 0.83 | HTT (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19CCR5 | |
| SCHEMBL8171722 | 0.83 | HTT (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19CCR5 | |
| SCHEMBL13205421 | 0.83 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19CCR5 | |
| SCHEMBL2273359 | 0.82 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 | |
| SCHEMBL3274229 | 0.82 | PREP (0.46) | ALDH1A1L3MBTL1SIGMAR1 | |
| SCHEMBL5438425 | 0.81 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 | |
| SCHEMBL13434275 | 0.80 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009094462-A1 | A CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PYRROLIDIN-3-YL-GLYCYLAMINOALKYLBORONATES | PHENOMIX CORPORATION (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009094462-A1 | A CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PYRROLIDIN-3-YL-GLYCYLAMINOALKYLBORONATES | PHENOMIX CORPORATION (US) | 2009-07-30 | — | — | WO | disclosed |