Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16187212 | 0.78 | ALDH1A1 (0.32) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL22641211 | 0.78 | TSHR (0.38) | ALDH1A1TSHR | |
| SCHEMBL19983185 | 0.73 | ALDH1A1 (0.40) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL22986016 | 0.73 | CES2 (0.33) | TSHR | |
| SCHEMBL19983250 | 0.72 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL15160145 | 0.70 | — | — | |
| SCHEMBL382576 | 0.70 | ALDH1A1 (0.62) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL29029687 | 0.70 | ALDH1A1 (0.30) | ALDH1A1TDP1 | |
| SCHEMBL82932 | 0.69 | — | — | |
| SCHEMBL19983219 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2881394-B1 | CONDENSED RING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-03-21 | — | — | EP | disclosed |