Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22145964 | 0.84 | HSP90AA1 (0.38) | TAAR1 | |
| SCHEMBL1480763 | 0.78 | NOS3 (0.43) | TAAR1SCN10A | |
| SCHEMBL18648250 | 0.76 | HMGCR (0.32) | — | |
| SCHEMBL9054350 | 0.75 | TAAR1 (0.38) | TAAR1 | |
| SCHEMBL24116762 | 0.70 | TAAR1 (0.34) | TAAR1 | |
| SCHEMBL1478334 | 0.70 | SMN1; SMN2 (0.48) | TAAR1CYP2D6 | |
| SCHEMBL30634160 | 0.70 | SMN1; SMN2 (0.48) | TAAR1CYP2D6 | |
| SCHEMBL12693700 | 0.70 | NOS3 (0.34) | — | |
| SCHEMBL15457955 | 0.70 | HMGCR (0.33) | — | |
| SCHEMBL14415969 | 0.69 | CYP2C9 (0.46) | TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996000248-A1 | WATER MISCIBLE NON-HYDROLYZABLE CROSS-LINKERS AND HIGH REFRACTIVE INDEX HYDROGELS PREPARED THEREWITH | KABI PHARMACIA OPHTHALMICS, INC. (US) | 1996-01-04 | — | — | WO | claimed |