Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16933937 | 1.00 | CES1 (0.39) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL11309464 | 1.00 | CES1 (0.39) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL646713 | 0.78 | MAOA (0.43) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL6743018 | 0.78 | MAOA (0.43) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL646712 | 0.78 | MAOA (0.43) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL20204809 | 0.76 | ALDH1A1 (0.46) | CES1CES2ALDH1A1TDP1MAPT | |
| SCHEMBL28122885 | 0.76 | CES1 (0.38) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL17230462 | 0.76 | CES1 (0.43) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL7621148 | 0.75 | ATM (0.40) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL7621134 | 0.75 | ATM (0.40) | CES1CES2ALDH1A1TSHRDAO |
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-4267359-A | Novel carboxylic acid esters | ZOECON CORPORATION (US) | 1981-05-12 | — | — | US | disclosed |
| US-4204071-A | 4-Aryl-3-butenoic acids and lower alkyl esters | ZOECON CORPORATION (US) | 1980-05-20 | — | — | US | disclosed |