Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL8093492 | 0.95 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CA2TSHRHTT | |
| SCHEMBL8087646 | 0.94 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRLMNATP53 | |
| SCHEMBL8102570 | 0.90 | SMN1; SMN2 (0.42) | ALDH1A1CYP3A4CA2TSHRPOLB | |
| SCHEMBL8098413 | 0.87 | ALDH1A1 (0.38) | ALDH1A1TSHRPOLBHTTL3MBTL1 | |
| SCHEMBL13952236 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CA2TSHRPOLB | |
| SCHEMBL6384756 | 0.85 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CA2TSHRPOLB | |
| SCHEMBL8093901 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CA2TSHRPOLB | |
| SCHEMBL8087566 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CA2TSHRPOLB | |
| SCHEMBL8087127 | 0.83 | TSHR (0.55) | ALDH1A1TSHRALOX15KDM4EMEN1 | |
| SCHEMBL8102300 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CA2TSHRPOLB |
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 |