Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21352451 | 0.97 | ALDH1A1 (0.57) | ALDH1A1CES1CES2TSHRDAO | |
| SCHEMBL21352452 | 0.95 | ALDH1A1 (0.55) | ALDH1A1CES1CES2TSHRDAO | |
| SCHEMBL21352449 | 0.95 | ALDH1A1 (0.55) | ALDH1A1CES1CES2TSHRDAO | |
| SCHEMBL21352443 | 0.95 | ALDH1A1 (0.55) | ALDH1A1CES1CES2TSHRDAO | |
| Benzoylphosphonate SCHEMBL1508013 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CES1CES2TSHRDAO | |
| SCHEMBL21352431 | 0.80 | HPGD (0.42) | ALDH1A1CES1CES2TSHRDAO | |
| Benzophenone SCHEMBL6938755 | 0.79 | ALDH1A1 (0.78) | ALDH1A1CES1CES2TSHRDAO | |
| Benzophenone SCHEMBL15398321 | 0.79 | ALDH1A1 (0.78) | ALDH1A1CES1CES2TSHRDAO | |
| SCHEMBL7565852 | 0.79 | ALDH1A1 (0.60) | ALDH1A1CES1CES2TSHRDAO | |
| Benzophenone SCHEMBL15129074 | 0.79 | ALDH1A1 (0.78) | ALDH1A1CES1CES2TSHRDAO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019175112-A1 | NOVEL PHOTO-INITIATORS AND THEIR APPLICATION | ETH ZURICH (CH) | 2019-09-19 | — | — | WO | disclosed |
| EP-3539969-A1 | NOVEL PHOTO-INITIATORS AND THEIR APPLICATION | ETH Zurich (CH) | 2019-09-18 | — | — | EP | disclosed |