Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11769783 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C19 | |
| Cyclohexane SCHEMBL9334136 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL110090 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL3168987 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL50228 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL4955809 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL749447 | 1.00 | — | — | |
| SCHEMBL5575197 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL27175 | 1.00 | — | — | |
| SCHEMBL31723393 | 0.96 | — | — |
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-2020017610-A1 | PHOTOCHROMIC COMPOUND AND CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND | 株式会社トクヤマ | 2020-01-23 | — | — | WO | disclosed |