Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28683655 | 0.80 | CYP1A2 (0.50) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL1982386 | 0.79 | HSD17B10 (0.71) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL4853423 | 0.77 | ALDH1A1 (0.76) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL28088020 | 0.76 | ALDH1A1 (0.94) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL19689319 | 0.76 | ALDH1A1 (0.60) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL10025575 | 0.76 | HSP90AA1 (0.64) | ALDH1A1CYP1A2HSP90AA1TSHRCYP3A4 | |
| SCHEMBL713316 | 0.76 | ALDH1A1 (0.73) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL2539042 | 0.76 | ALDH1A1 (0.73) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Triphenylene SCHEMBL28972583 | 0.76 | ALDH1A1 (0.82) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Triphenylene SCHEMBL16033563 | 0.76 | ALDH1A1 (0.82) | ALDH1A1HSD17B10HPGDCYP1A2THRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003055448-A2 | ANTIFUNGAL COMPOSITIONS | ACHILLION PHARMACEUTICALS, INC. (US) | 2003-07-10 | — | — | WO | disclosed |