Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | XPO1 | O14980 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.50 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.50 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL7922641 | 0.85 | MAPT (0.61) | ALDH1A1POLBHTTMAPTKDM4E | |
| SCHEMBL27632153 | 0.79 | ALDH1A1 (0.62) | ALDH1A1POLBHTTMAPTKDM4E | |
| SCHEMBL3282363 | 0.78 | ALDH1A1 (0.64) | ALDH1A1POLBHTTMAPTKDM4E | |
| SCHEMBL14096405 | 0.75 | ALDH1A1 (0.64) | ALDH1A1POLBHTTMAPTKDM4E | |
| SCHEMBL14096380 | 0.75 | ALDH1A1 (0.53) | ALDH1A1POLBHTTMAPTKDM4E | |
| SCHEMBL7920537 | 0.70 | MAPT (0.46) | ALDH1A1POLBHTTMAPTKDM4E | |
| SCHEMBL7922254 | 0.69 | ALDH1A1 (0.44) | ALDH1A1POLBHTTMAPTKDM4E | |
| SCHEMBL16126203 | 0.68 | XPO1 (1.00) | ALDH1A1POLBHTTMAPTTSHR | |
| SCHEMBL7922259 | 0.68 | TASP1 (0.61) | ALDH1A1POLBMAPTKDM4EMAPK1 | |
| SCHEMBL7829737 | 0.67 | ALDH1A1 (0.73) | ALDH1A1POLBHTTMAPTLMNA |
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-1100500-A1 | THE USE OF CD4-BINDING SMALL MOLECULES TO INHIBIT HIV INFECTION | THOMAS JEFFERSON UNIVERSITY (US) | 2001-05-23 | — | — | EP | claimed |
| WO-2000004903-A1 | THE USE OF CD4-BINDING SMALL MOLECULES TO INHIBIT HIV INFECTION | THOMAS JEFFERSON UNIVERSITY (US) | 2000-02-03 | — | — | WO | claimed |