Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13777492 | 0.94 | ALDH1A1 (0.46) | ALDH1A1ALDH3A1ALDH1A3TSHRKDM4E | |
| SCHEMBL7150218 | 0.92 | ALDH1A1 (0.50) | ALDH1A1ALDH3A1ALDH1A3TSHRKDM4E | |
| SCHEMBL225713 | 0.84 | ALDH1A1 (0.65) | ALDH1A1ALDH3A1ALDH1A3TSHRKDM4E | |
| Hydrochloric Acid SCHEMBL2803408 | 0.82 | ALDH1A1 (0.63) | ALDH1A1ALDH3A1ALDH1A3TSHRKDM4E | |
| SCHEMBL6811668 | 0.82 | ALDH1A1 (0.48) | ALDH1A1ALDH3A1ALDH1A3TSHRKDM4E | |
| SCHEMBL172444 | 0.79 | ALDH1A1 (0.65) | ALDH1A1ALDH3A1ALDH1A3TSHRKDM4E | |
| SCHEMBL12925510 | 0.79 | ALDH1A1 (0.65) | ALDH1A1ALDH3A1ALDH1A3TSHRKDM4E | |
| SCHEMBL9915854 | 0.79 | ALDH1A1 (0.59) | ALDH1A1ALDH3A1ALDH1A3TSHRKDM4E | |
| SCHEMBL21294109 | 0.77 | ALDH1A1 (0.57) | ALDH1A1ALDH3A1ALDH1A3TSHRKDM4E | |
| SCHEMBL14608250 | 0.77 | ALDH1A1 (0.52) | ALDH1A1ALDH3A1ALDH1A3TSHRKDM4E |
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-3492480-B1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORP (US) | 2021-10-20 | — | — | EP | disclosed |