Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11065566 | 0.85 | PLAU (0.44) | PLAUCYP3A4TDP1GPR35ALDH1A1 | |
| SCHEMBL30135431 | 0.82 | PLAU (0.59) | PLAUCYP3A4TDP1GPR35ALDH1A1 | |
| SCHEMBL187375 | 0.82 | PLAU (0.59) | PLAUCYP3A4TDP1GPR35ALDH1A1 | |
| SCHEMBL327019 | 0.81 | PLAU (0.46) | PLAUCYP3A4TDP1GPR35ALDH1A1 | |
| SCHEMBL28049512 | 0.81 | TSHR (0.50) | PLAUCYP3A4TDP1GPR35ALDH1A1 | |
| SCHEMBL3837781 | 0.79 | CYP3A4 (0.63) | PLAUCYP3A4TDP1GPR35ALDH1A1 | |
| SCHEMBL27466789 | 0.79 | PLAU (0.45) | PLAUCYP3A4TDP1GPR35ALDH1A1 | |
| SCHEMBL3395115 | 0.79 | PLAU (0.45) | PLAUCYP3A4TDP1GPR35ALDH1A1 | |
| SCHEMBL58545 | 0.79 | CYP3A4 (0.60) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL1460867 | 0.77 | TDP1 (0.61) | CYP3A4TDP1GPR35ALDH1A1TSHR |
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-0078991-B1 | PROCESS FOR THE PREPARATION OF MIXED TRIMERS OF ORGANIC ISOCYANATES, MIXED TRIMERS OBTAINED BY THIS PROCESS AND THEIR USE IN THE PREPARATION OF POLYURETHANES | BAYER AG (DE) | 1985-12-27 | — | — | EP | disclosed |