Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25686315 | 0.87 | ALDH1A1 (0.49) | ALDH1A1MAPTCYP3A4HPGDHSD17B10 | |
| SCHEMBL75981 | 0.84 | ALDH1A1 (0.38) | ALDH1A1MAPTCYP3A4HPGDHSD17B10 | |
| SCHEMBL26759912 | 0.81 | CA12 (0.50) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL7591698 | 0.81 | CA12 (0.50) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL7596476 | 0.81 | CA12 (0.50) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL25098592 | 0.81 | CA12 (0.50) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL7590226 | 0.81 | CA12 (0.50) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL17933030 | 0.81 | CA12 (0.50) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL25571592 | 0.81 | HSD17B1 (0.42) | ALDH1A1MAPTCYP3A4TSHRCA12 | |
| SCHEMBL557047 | 0.81 | ALDH1A1 (0.35) | ALDH1A1CYP3A4HPGDHSD17B10TP53 |
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-3322693-B1 | A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) | 2020-02-12 | — | — | EP | disclosed |