Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 9/20 | 0.59 |
| ▸ | CES1 | P23141 | 8/20 | 0.59 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11816610 | 1.00 | CES2 (0.59) | CES2CES1AKR1C1ALDH1A1TSHR | |
| SCHEMBL11881116 | 1.00 | CES2 (0.59) | CES2CES1AKR1C1ALDH1A1TSHR | |
| SCHEMBL11824278 | 0.84 | CES2 (0.71) | CES2CES1ALDH1A1MAPTCYP3A4 | |
| SCHEMBL11824280 | 0.84 | CES2 (0.71) | CES2CES1ALDH1A1MAPTCYP3A4 | |
| SCHEMBL11426492 | 0.83 | AKR1C1 (0.50) | CES2CES1AKR1C1ALDH1A1TSHR | |
| SCHEMBL6474719 | 0.83 | AKR1C1 (0.61) | CES2CES1AKR1C1ALDH1A1TSHR | |
| SCHEMBL11426495 | 0.83 | AKR1C1 (0.50) | CES2CES1AKR1C1ALDH1A1TSHR | |
| SCHEMBL3069399 | 0.83 | AKR1C1 (0.61) | CES2CES1AKR1C1ALDH1A1TSHR | |
| SCHEMBL8734921 | 0.81 | CES2 (0.59) | CES2CES1AKR1C1ALDH1A1TSHR | |
| SCHEMBL8734925 | 0.81 | CES2 (0.59) | CES2CES1AKR1C1ALDH1A1TSHR |
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-3957817-A | BRIGHTENERS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-18 | — | — | US | disclosed |
| US-3947520-A | Compounds and process for preparing the same | THE UPJOHN COMPANY (US) | 1976-03-30 | — | — | US | disclosed |