Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 5/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.45 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14514117 | 1.00 | EGFR (0.48) | EGFRSMN1; SMN2CYP2C19LTA4HNPC1 | |
| SCHEMBL6007331 | 0.82 | CCR5 (0.52) | CCR5KCNA3 | |
| SCHEMBL14514069 | 0.81 | KCNA3 (0.44) | KDM4EALDH1A1CCR5KCNA3 | |
| SCHEMBL3361971 | 0.81 | EGFR (0.55) | EGFRSMN1; SMN2CYP2C19LTA4HNPC1 | |
| SCHEMBL14845464 | 0.81 | HTR2A (0.64) | EGFRSMN1; SMN2LTA4HNPC1RAB9A | |
| SCHEMBL8551044 | 0.81 | MEN1 (0.59) | SMN1; SMN2NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL26454342 | 0.80 | EGFR (0.59) | EGFRSMN1; SMN2LTA4HNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8550696 | 0.80 | MEN1 (0.58) | SMN1; SMN2NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL8173819 | 0.80 | SMN1; SMN2 (0.56) | EGFRSMN1; SMN2CYP2C19LTA4HNPC1 | |
| SCHEMBL14514118 | 0.80 | CCR5 (0.61) | CCR5 |
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-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |