Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | GALK1 | P51570 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL470759 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHRMAPTTDP1CES2 | |
| SCHEMBL470761 | 0.84 | CHRNB2 (0.35) | ALDH1A1MAPTTDP1KDM4EKMT2A | |
| SCHEMBL470770 | 0.82 | KDM4E (0.34) | ALDH1A1MAPTSMN1; SMN2KDM4EKMT2A | |
| SCHEMBL19114771 | 0.77 | CES2 (0.48) | ALDH1A1TSHRCES2CES1GSK3B | |
| SCHEMBL470763 | 0.73 | RAB9A (0.37) | ALDH1A1MAPTCES2CES1SMN1; SMN2 | |
| SCHEMBL470760 | 0.73 | CES2 (0.41) | ALDH1A1MAPTTDP1CES2CES1 | |
| SCHEMBL470766 | 0.71 | ALDH1A1 (0.38) | ALDH1A1TSHRMAPTTDP1TP53 | |
| SCHEMBL25899702 | 0.70 | CYP1A1 (0.45) | ALDH1A1MAPTCES2CES1SMN1; SMN2 | |
| SCHEMBL470764 | 0.69 | MAPT (0.47) | ALDH1A1MAPTCES2CES1SMN1; SMN2 | |
| SCHEMBL470757 | 0.68 | CHRNB2 (0.38) | ALDH1A1MAPTKMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20140144509-A1 | Compounds for Organic Photovoltaic Devices | NOVALED AG (DE) | 2014-05-29 | — | — | US | disclosed |
| WO-2012031735-A1 | COMPOUNDS FOR ORGANIC PHOTOVOLTAIC DEVICES | NOVALED AG (DE) | 2012-03-15 | — | — | WO | disclosed |