Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TYR | P14679 | 3/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | CTRC | Q99895 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10966469 | 0.94 | CYP3A4 (0.41) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10963787 | 0.91 | CYP3A4 (0.44) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10963525 | 0.90 | CYP3A4 (0.41) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10967610 | 0.89 | TYR (0.40) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10965063 | 0.89 | TYR (0.40) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10967511 | 0.89 | TYR (0.40) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10966288 | 0.89 | TYR (0.40) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10963564 | 0.89 | TYR (0.40) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10963589 | 0.89 | TYR (0.40) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10965507 | 0.89 | TYR (0.40) | CYP3A4TRPA1TDP1MAPK1TSHR |
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-4512929-A | POLYURETHANE MONOMERS, PLANT SAFENING AGENT | BASF AKTIENGESELLSCHAFT (DE) | 1985-04-23 | — | — | US | disclosed |