Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | MMP7 | P09237 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | BCL9 | O00512 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922380 | 0.90 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL17477287 | 0.89 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL7503285 | 0.89 | SMN1; SMN2 (0.62) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL8316392 | 0.88 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL31198952 | 0.84 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL4035554 | 0.83 | SMN1; SMN2 (0.72) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL6750128 | 0.83 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL30711534 | 0.83 | CHRM4 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19CHRM4 | |
| SCHEMBL6749001 | 0.82 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL17477305 | 0.81 | BRD4 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19HTT |
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-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |