Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | GALR3 | O60755 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL16632905 | 0.82 | ALDH1A1 (0.53) | ALDH1A1GPR35TDP1CYP3A4TSHR | |
| SCHEMBL13199182 | 0.82 | CA1 (0.55) | ALDH1A1GPR35TDP1CYP3A4TSHR | |
| SCHEMBL8099774 | 0.80 | ALDH1A1 (0.52) | ALDH1A1GPR35TDP1CYP3A4TSHR | |
| SCHEMBL16633153 | 0.79 | GSK3B (0.51) | ALDH1A1GPR35TDP1CYP3A4TSHR | |
| SCHEMBL14892423 | 0.78 | ALDH1A1 (0.50) | ALDH1A1GPR35TDP1CYP3A4TSHR | |
| SCHEMBL27484194 | 0.77 | MEN1 (0.50) | ALDH1A1GPR35TDP1CYP3A4TSHR | |
| SCHEMBL7591817 | 0.76 | ALDH1A1 (0.49) | ALDH1A1GPR35TDP1CYP3A4TSHR | |
| SCHEMBL11980144 | 0.76 | CA1 (0.67) | ALDH1A1GPR35TDP1CYP3A4TSHR | |
| SCHEMBL1286515 | 0.76 | CA1 (0.67) | ALDH1A1GPR35TDP1CYP3A4TSHR | |
| SCHEMBL8101943 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4TSHRHTT |
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 |