Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 6/20 | 0.44 |
| ▸ | HTR2C | P28335 | 6/20 | 0.44 |
| ▸ | HTR2B | P41595 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4428784 | 0.92 | BRD4 (0.40) | ALDH1A1LMNAKDM4EMAPTPTK2B | |
| SCHEMBL4200884 | 0.84 | ALDH1A1 (0.63) | ALDH1A1LMNAKDM4EMAPTPTK2B | |
| SCHEMBL14827765 | 0.81 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EMAPTPTK2B | |
| SCHEMBL14827747 | 0.79 | ALDH1A1 (0.47) | ALDH1A1LMNAKDM4EMAPTPTK2B | |
| SCHEMBL12333943 | 0.76 | ALDH1A1 (0.50) | ALDH1A1LMNAKDM4EMAPTPTK2B | |
| SCHEMBL2674785 | 0.76 | ALDH1A1 (0.52) | ALDH1A1LMNAKDM4EMAPTPTK2B | |
| SCHEMBL2267570 | 0.76 | HTR2A (0.45) | ALDH1A1LMNAKDM4EMAPTHTR2A | |
| SCHEMBL12333947 | 0.75 | LMNA (0.45) | ALDH1A1LMNAKDM4EMAPTPTK2B | |
| SCHEMBL12334040 | 0.75 | ALDH1A1 (0.41) | ALDH1A1LMNAKDM4EMAPTPTK2B | |
| Hydrochloric Acid SCHEMBL20136159 | 0.75 | ALDH1A1 (0.51) | ALDH1A1LMNAKDM4EMAPTPTK2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1100495-A4 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORP (US) | 2002-09-25 | — | — | EP | disclosed |
| EP-1100495-A1 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000006153-A1 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-10 | — | — | WO | disclosed |