Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | PKM | P14618 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL9526617 | 0.70 | PKM (0.47) | TSHRMAPK1ALDH1A1TTRGPR35 | |
| SCHEMBL10654236 | 0.70 | CYP3A4 (0.50) | TSHRALDH1A1CYP3A4TDP1 | |
| SCHEMBL30137920 | 0.69 | MAPT (0.51) | ALDH1A1GPR35MAPTSMN1; SMN2POLB | |
| SCHEMBL10718846 | 0.69 | ALDH1A1 (0.43) | TSHRMAPK1ALDH1A1MAPTMEN1 | |
| SCHEMBL7713416 | 0.69 | CYP3A4 (0.49) | TSHRALDH1A1CYP3A4TDP1 | |
| SCHEMBL310420 | 0.68 | GPR35 (0.69) | TSHRMAPK1ALDH1A1TTRGPR35 | |
| SCHEMBL10769910 | 0.67 | PKM (0.44) | TSHRMAPK1ALDH1A1TTRGPR35 | |
| SCHEMBL9526634 | 0.66 | PKM (0.49) | TSHRMAPK1ALDH1A1VCAM1PKM | |
| SCHEMBL6010796 | 0.65 | GPR35 (0.63) | TSHRMAPK1ALDH1A1TTRGPR35 | |
| SCHEMBL10609185 | 0.64 | PKM (0.47) | TSHRMAPK1ALDH1A1VCAM1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0257296-A1 | 4-Cyano(nitro)-5-oxy(thio)-pyrazole derivatives | BAYER AG (DE) | 1988-03-02 | — | — | EP | disclosed |