Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL19489638 | 0.78 | TSHR (0.32) | TSHRCYP3A4TP53ALDH1A1MAPK1 | |
| SCHEMBL24305375 | 0.78 | TSHR (0.32) | TSHRCYP3A4TP53ALDH1A1MAPK1 | |
| SCHEMBL27358536 | 0.78 | ALDH1A1 (0.43) | TSHRCYP3A4TP53ALDH1A1MAPK1 | |
| SCHEMBL24934263 | 0.78 | ALDH1A1 (0.38) | TSHRCYP3A4ALDH1A1MAPK1CA12 | |
| SCHEMBL24476958 | 0.73 | POLB (0.39) | TSHRCYP3A4TP53ALDH1A1ALOX15 | |
| SCHEMBL19871757 | 0.73 | TSHR (0.48) | TSHRCYP3A4ALDH1A1ALOX15HPGD | |
| SCHEMBL23022307 | 0.71 | ALDH1A1 (0.30) | TSHRCYP3A4ALDH1A1ALOX15THRB | |
| SCHEMBL13363108 | 0.70 | CYP3A4 (0.39) | TSHRCYP3A4ALDH1A1CASP1TDP1 | |
| SCHEMBL24879335 | 0.70 | CA12 (0.31) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19489533 | 0.69 | AKR1B1 (0.49) | TSHRCYP3A4ALDH1A1MAPK1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3442945-B1 | TETRAHYDROISOQUINOLINE DERIVATIVES | UCB Biopharma SRL (BE) | 2020-07-08 | — | — | EP | disclosed |
| WO-2017178377-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | UCB BIOPHARMA SPRL (BE) | 2017-10-19 | — | — | WO | disclosed |