Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 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 | |
|---|---|---|---|---|
| SCHEMBL11404100 | 0.93 | TSHR (0.50) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL773100 | 0.91 | TSHR (0.47) | TSHRCES2CES1ALDH1A1CYP1A2 | |
| SCHEMBL10627028 | 0.89 | TSHR (0.46) | TSHRCES2CES1ALDH1A1CYP1A2 | |
| SCHEMBL8142965 | 0.87 | TSHR (0.43) | TSHRCES2CES1ALDH1A1CYP1A2 | |
| SCHEMBL272650 | 0.83 | TSHR (0.61) | TSHRCES2CES1ALDH1A1CYP1A2 | |
| SCHEMBL1804737 | 0.83 | TSHR (0.51) | TSHRCES2CES1ALDH1A1CYP1A2 | |
| SCHEMBL10631279 | 0.82 | TSHR (0.44) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL8662780 | 0.82 | TSHR (0.41) | TSHRCES2CES1ALDH1A1GPR35 | |
| SCHEMBL8665268 | 0.82 | TSHR (0.41) | TSHRCES2CES1ALDH1A1GPR35 | |
| SCHEMBL8100252 | 0.81 | TSHR (0.50) | TSHRCES2CES1ALDH1A1CYP1A2 |
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 |