Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LTB4R | Q15722 | 4/20 | 0.48 |
| ▸ | LTB4R2 | Q9NPC1 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14415484 | 0.83 | SMN1; SMN2 (0.71) | SMN1; SMN2 | |
| SCHEMBL1516137 | 0.82 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2KMT2ACA12 | |
| SCHEMBL11627942 | 0.82 | LTB4R (0.45) | NPC1RAB9ASMN1; SMN2LTB4RLTB4R2 | |
| SCHEMBL14415488 | 0.81 | SMN1; SMN2 (0.48) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL10625983 | 0.81 | SMN1; SMN2 (0.50) | NPC1RAB9ASMN1; SMN2ALOX5CES2 | |
| SCHEMBL13684201 | 0.80 | CCR5 (0.47) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL14415479 | 0.79 | SIGMAR1 (0.56) | SMN1; SMN2 | |
| SCHEMBL8569413 | 0.78 | NPC1 (0.53) | NPC1RAB9ALTB4RLTB4R2KMT2A | |
| SCHEMBL5294174 | 0.77 | AKR1B1 (0.54) | NPC1RAB9ALTB4RLTB4R2KMT2A | |
| SCHEMBL11628859 | 0.76 | AOC3 (0.46) | LTB4RLTB4R2CA12CA9 |
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-7271172-B2 | Pyrrolidine and azetidine compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |