Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8093901 | 0.91 | ALDH1A1 (0.44) | ALDH1A1ALOX15CA2CYP3A4KDM4E | |
| SCHEMBL8095848 | 0.89 | PRSS1 (0.45) | ALDH1A1CA2CYP3A4PRSS1PRSS2 | |
| SCHEMBL8087556 | 0.87 | ALDH1A1 (0.40) | ALDH1A1ALOX15CA2CYP3A4POLB | |
| SCHEMBL8085931 | 0.85 | POLB (0.40) | ALDH1A1CA2CYP3A4KDM4EPOLB | |
| SCHEMBL11433095 | 0.84 | ALDH1A1 (0.38) | ALDH1A1ALOX15SMN1; SMN2CA2CYP3A4 | |
| SCHEMBL8102570 | 0.83 | SMN1; SMN2 (0.42) | ALDH1A1ALOX15SMN1; SMN2CA2CYP3A4 | |
| SCHEMBL2387179 | 0.81 | ALDH1A1 (0.41) | ALDH1A1ALOX15SMN1; SMN2CA2CYP3A4 | |
| SCHEMBL8094370 | 0.79 | CXCR5 (0.41) | ALDH1A1ALOX15SMN1; SMN2CA2CYP3A4 | |
| SCHEMBL8096633 | 0.77 | ALDH1A1 (0.43) | ALDH1A1ALOX15SMN1; SMN2CA2CYP3A4 | |
| SCHEMBL2153533 | 0.77 | ALDH1A1 (0.50) | ALDH1A1ALOX15SMN1; SMN2CA2CYP3A4 |
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-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |