Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 2/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 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 | |
|---|---|---|---|---|
| SCHEMBL28245208 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL30014468 | 0.80 | CYP1A2 (0.48) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL21313671 | 0.80 | CYP1A2 (0.48) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL17537047 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL4855125 | 0.77 | ALDH1A1 (0.67) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL31130596 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL21764658 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL311307 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL11098338 | 0.74 | CYP1A2 (0.56) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL3420860 | 0.74 | HSD17B10 (0.62) | ALDH1A1CYP1A2HSD17B10HPGDTHRB |
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-2009106779-A2 | NOVEL PHOTOSENSITISING MOLECULES DERIVED FROM 9,10-DICYANOANTHRACENE, METHOD FOR PREPARING SAME AND USES THEREOF | UPPA - UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR (FR) | 2009-09-03 | — | — | WO | disclosed |