Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | HTT | P42858 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | TYR | P14679 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10028075 | 0.88 | ALDH1A1 (0.38) | ALDH1A1HTTMAPTSMN1; SMN2MEN1 | |
| SCHEMBL10028070 | 0.87 | TYR (0.36) | HTTMAPTMEN1KMT2ATYR | |
| SCHEMBL10028248 | 0.83 | TYR (0.34) | ALDH1A1HTTMAPTSMN1; SMN2KDM4E | |
| SCHEMBL10028240 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HTTMAPTSMN1; SMN2KDM4E | |
| SCHEMBL10062024 | 0.75 | CYSLTR2 (0.30) | — | |
| SCHEMBL17304507 | 0.72 | ALDH1A1 (0.36) | ALDH1A1MAPTHSD17B10HPGDMEN1 | |
| SCHEMBL10061906 | 0.71 | ALDH1A1 (0.34) | ALDH1A1HTTSMN1; SMN2TP53TSHR | |
| SCHEMBL10028074 | 0.68 | TLR8 (0.42) | HTTMAPTSMN1; SMN2KDM4EHPGD | |
| SCHEMBL10028246 | 0.66 | TLR8 (0.38) | ALDH1A1HTTMAPTSMN1; SMN2KDM4E | |
| SCHEMBL12593253 | 0.64 | ALDH1A1 (0.52) | ALDH1A1HTTMAPTSMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-8114531-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2012-02-14 | — | — | US | disclosed |