Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6014762 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRRAB9ANPC1KDM4E | |
| O-Xylene SCHEMBL4822024 | 0.77 | ACHE (0.56) | ALDH1A1TSHRRAB9ANPC1LMNA | |
| Benzene SCHEMBL10530999 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHRKDM4ELMNANPSR1 | |
| SCHEMBL8109982 | 0.71 | TSHR (0.57) | ALDH1A1CYP3A4TSHRMAPK1RAB9A | |
| SCHEMBL308940 | 0.71 | ALDH1A1 (1.00) | ALDH1A1TSHR | |
| SCHEMBL9869925 | 0.71 | ALDH1A1 (1.00) | ALDH1A1TSHR | |
| SCHEMBL10943225 | 0.71 | ALDH1A1 (1.00) | ALDH1A1TSHR | |
| SCHEMBL39444 | 0.71 | TSHR (0.57) | ALDH1A1CYP3A4TSHRMAPK1RAB9A | |
| SCHEMBL11230 | 0.71 | ALDH1A1 (1.00) | ALDH1A1TSHR | |
| SCHEMBL296805 | 0.71 | ALDH1A1 (1.00) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1083775-B1 | Composition comprising an organic electroluminescent material | SEIKO EPSON CORP (JP) | 2010-10-13 | — | — | EP | claimed |