Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PLAT | P00750 | 6/20 | 0.41 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5635304 | 0.99 | KDM4E (0.45) | KDM4EHPGDLMNAALDH1A1HTT | |
| SCHEMBL3595132 | 0.85 | PLAT (0.43) | PLATGRM5NMT1NR1H4GPR119 | |
| SCHEMBL1573928 | 0.85 | KDM4E (0.44) | KDM4EHPGDLMNAALDH1A1HTT | |
| SCHEMBL1573931 | 0.85 | KDM4E (0.44) | KDM4EHPGDLMNAALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL5458410 | 0.84 | PLAT (0.42) | PLATGRM5NMT1NR1H4GPR119 | |
| SCHEMBL1574030 | 0.79 | KDM4E (0.40) | KDM4EHPGDLMNAALDH1A1HTT | |
| SCHEMBL5634822 | 0.78 | PLAT (0.52) | HTR1AHTR2CPLATGRM5NMT1 | |
| SCHEMBL3868513 | 0.78 | NMT1 (0.55) | PLATNMT1NR1H4 | |
| SCHEMBL13547434 | 0.78 | PLAT (0.41) | PLATGRM5NMT1NR1H4 | |
| SCHEMBL3530200 | 0.78 | NMT1 (0.51) | MAPTNMT1NR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |