Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9723264 | 0.98 | TYR (0.44) | TYRTSHRMEN1TP53CYP3A4 | |
| SCHEMBL9723274 | 0.87 | AR (0.40) | TDP1AR | |
| SCHEMBL9710325 | 0.81 | TYR (0.44) | TYRTSHRMEN1TP53CYP3A4 | |
| SCHEMBL9710392 | 0.81 | TYR (0.44) | TYRTSHRMEN1TP53CYP3A4 | |
| SCHEMBL10520219 | 0.81 | TYR (0.44) | TYRTSHRMEN1TP53CYP3A4 | |
| SCHEMBL9710309 | 0.81 | TYR (0.44) | TYRTSHRMEN1TP53CYP3A4 | |
| SCHEMBL9406167 | 0.81 | HTR2A (0.36) | MAPTAR | |
| SCHEMBL9406172 | 0.81 | HTR2A (0.36) | MAPTAR | |
| SCHEMBL9447304 | 0.80 | HTR2A (0.36) | TSHRCYP3A4MAPTHSD17B10AR | |
| SCHEMBL9447300 | 0.80 | HTR2A (0.36) | TSHRCYP3A4MAPTHSD17B10AR |
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 |
|---|---|---|---|---|---|---|---|
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | disclosed |