Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 11/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14232084 | 0.82 | THRB (0.40) | THRBTDP1PDK2ALDH1A1NPSR1 | |
| SCHEMBL5139986 | 0.80 | THRB (0.41) | THRBTDP1PDK2ALDH1A1NPSR1 | |
| SCHEMBL5137948 | 0.79 | THRB (0.40) | THRBTDP1PDK2ALDH1A1NPSR1 | |
| SCHEMBL5138154 | 0.76 | THRB (0.38) | THRBTDP1PDK2ALDH1A1NPSR1 | |
| SCHEMBL5086614 | 0.75 | ALDH1A1 (0.40) | THRBTDP1PDK2ALDH1A1MAPT | |
| SCHEMBL2239449 | 0.71 | PDK2 (0.52) | THRBTDP1PDK2ALDH1A1HSP90AA1 | |
| SCHEMBL30341830 | 0.71 | PDK2 (0.52) | THRBTDP1PDK2ALDH1A1HSP90AA1 | |
| SCHEMBL6597024 | 0.68 | PGR (0.39) | THRBTDP1ALDH1A1NPSR1MITF | |
| SCHEMBL16339743 | 0.68 | PTGS2 (0.42) | THRBTDP1ALDH1A1NPSR1MITF | |
| SCHEMBL17275574 | 0.66 | THRB (0.46) | THRBTDP1ALDH1A1NPSR1MITF |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008037604-A1 | NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF | UNIVERSITÀ DEGLI STUDI DI SIENA (IT) | 2008-04-03 | — | — | WO | disclosed |
| WO-2008037604-A1 | NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF | UNIVERSITÀ DEGLI STUDI DI SIENA (IT) | 2008-04-03 | — | — | WO | disclosed |