Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.52 |
| ▸ | CCR5 | P51681 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 3/20 | 0.46 |
| ▸ | JAK1 | P23458 | 3/20 | 0.46 |
| ▸ | TYK2 | P29597 | 3/20 | 0.46 |
| ▸ | JAK3 | P52333 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL14514125 | 0.88 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL5634523 | 0.78 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL15018080 | 0.78 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL7399416 | 0.77 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL27059331 | 0.75 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL14992459 | 0.75 | SMN1; SMN2 (0.78) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL3898493 | 0.75 | SMN1; SMN2 (0.78) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL28978036 | 0.75 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL18375758 | 0.75 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL14529024 | 0.74 | SMN1; SMN2 (0.68) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |
| CN-1150192-C | Piperidines as CCR5 modulators | — | 2004-05-19 | — | — | CN | disclosed |
| CN-1331691-A | Piperidines as CCR5 modulators | PFIZER LTD (US) | 2002-01-16 | — | — | CN | disclosed |