Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7544020 | 0.73 | CES2 (0.46) | CES2CES1ALDH1A1POLBHTT | |
| SCHEMBL5201425 | 0.73 | CES2 (0.54) | CES2CES1ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL1180379 | 0.72 | — | — | |
| SCHEMBL2169988 | 0.72 | POLB (0.55) | CES2CES1ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL8456803 | 0.72 | ALDH1A1 (0.50) | CES2CES1ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL9492815 | 0.71 | HTT (0.43) | CES2CES1ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL27345912 | 0.71 | HDAC3 (0.49) | CES2CES1ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL8458100 | 0.70 | NPC1 (0.51) | CES2CES1ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL28167448 | 0.70 | CES2 (0.50) | CES2CES1ALDH1A1POLBHTT | |
| SCHEMBL10849808 | 0.70 | CES2 (0.46) | CES2CES1POLBSMN1; SMN2HTT |
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-0914319-A1 | DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS | TEIJIN LIMITED (JP) | 1999-05-12 | — | — | EP | disclosed |
| WO-1997044329-A9 | DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS | — | 1998-03-12 | — | — | WO | disclosed |
| WO-1997044329-A1 | DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS | TEIJIN LIMITED (JP) | 1997-11-27 | — | — | WO | disclosed |