Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 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 | |
|---|---|---|---|---|
| SCHEMBL10335465 | 0.89 | MAPT (0.45) | ALDH1A1CYP3A4TSHRMAPTLMNA | |
| SCHEMBL9633098 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TDP1CYP3A4MAPTLMNA | |
| SCHEMBL9632531 | 0.79 | TUBB4A (0.38) | ALDH1A1MAPTLMNAMEN1POLB | |
| SCHEMBL8849524 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPTLMNAPOLB | |
| SCHEMBL8849529 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPTLMNAPOLB | |
| SCHEMBL9632491 | 0.76 | DTYMK (0.49) | TSHRMAPTPOLBPTGS2 | |
| SCHEMBL7288138 | 0.75 | ALDH5A1 (0.57) | ALDH1A1TSHRMAPTLMNATTR | |
| SCHEMBL5594752 | 0.75 | PLA2G4A (0.50) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL5594749 | 0.75 | PLA2G4A (0.50) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL5594757 | 0.75 | PLA2G4A (0.50) | ALDH1A1TDP1CYP3A4TSHRMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0359795-A1 | ZWITTERION NLO-CHROMOPHORES. | MERCK PATENT GMBH (DE) | 1990-03-28 | — | — | EP | disclosed |
| WO-1989008686-A1 | ZWITTERION NLO-CHROMOPHORES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |