Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4850205 | 0.88 | CES1 (0.51) | TSHRCYP3A4ALDH1A1HPGDKDM4E | |
| SCHEMBL30038912 | 0.88 | CES1 (0.51) | TSHRCYP3A4ALDH1A1HPGDKDM4E | |
| SCHEMBL30345804 | 0.87 | CES1 (0.50) | TSHRCYP3A4ALDH1A1HPGDKDM4E | |
| SCHEMBL4852509 | 0.79 | ALDH1A1 (0.42) | TSHRCYP3A4ALDH1A1HPGDKDM4E | |
| SCHEMBL13959735 | 0.79 | MAPT (0.34) | TSHRCYP3A4ALDH1A1HPGDKDM4E | |
| SCHEMBL29596619 | 0.79 | ALDH1A1 (0.42) | TSHRCYP3A4ALDH1A1HPGDKDM4E | |
| SCHEMBL4856726 | 0.79 | ALDH1A1 (0.47) | TSHRCYP3A4ALDH1A1HPGDKDM4E | |
| SCHEMBL28304604 | 0.78 | CES1 (0.42) | TSHRCYP3A4ALDH1A1HPGDKDM4E | |
| SCHEMBL4846898 | 0.78 | ALDH1A1 (0.46) | TSHRCYP3A4ALDH1A1HPGDKDM4E | |
| SCHEMBL4846738 | 0.77 | CES1 (0.49) | TSHRCYP3A4ALDH1A1HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-105431439-A | Polycyclic aromatic compound | KWANSEI GAKUIN EDUCATIONAL FOUND | 2016-03-23 | — | — | CN | disclosed |