Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 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 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1573931 | 1.00 | KDM4E (0.44) | KDM4EMAPTHPGDCYP1A2CYP3A4 | |
| SCHEMBL14514101 | 0.85 | KDM4E (0.46) | KDM4EMAPTHPGDCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5635304 | 0.84 | KDM4E (0.45) | KDM4EMAPTHPGDCYP1A2CYP3A4 | |
| SCHEMBL1574030 | 0.81 | KDM4E (0.40) | KDM4EMAPTHPGDCYP1A2CYP3A4 | |
| SCHEMBL5635023 | 0.75 | GRM5 (0.36) | KDM4EMAPTHPGDCYP1A2CYP3A4 | |
| SCHEMBL5635025 | 0.74 | GPR119 (0.53) | SMN1; SMN2GPR119 | |
| SCHEMBL21434913 | 0.72 | ALDH1A1 (0.42) | KDM4EMAPTHPGDLMNASMN1; SMN2 | |
| SCHEMBL14514107 | 0.72 | CCR5 (0.43) | KDM4EMAPTHPGDCYP1A2CYP3A4 | |
| SCHEMBL1573880 | 0.72 | CCR5 (0.44) | — | |
| SCHEMBL1573882 | 0.72 | CCR5 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140085-B1 | AZABICYCLOALKANES AS CCR5 MODULATORS | PHIVCO UK LTD (GB) | 2011-04-13 | — | — | EP | disclosed |
| US-6586430-B1 | Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders | PFIZER INC. | 2003-07-01 | — | — | US | disclosed |