Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL5479636 | 0.90 | CES2 (0.60) | CES2CES1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL14024241 | 0.84 | CES2 (0.53) | CES2CES1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3127858 | 0.82 | CES2 (0.50) | CES2CES1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3127863 | 0.82 | CES2 (0.50) | CES2CES1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL16418302 | 0.81 | MAPT (0.53) | CES2CES1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL13310387 | 0.81 | CES2 (0.49) | CES2CES1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3371609 | 0.81 | CES2 (0.49) | CES2CES1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9333827 | 0.81 | ALDH1A1 (0.49) | CES2CES1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL11756323 | 0.81 | ALDH1A1 (0.53) | CES2CES1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL2353369 | 0.80 | MAPT (0.49) | CES2CES1ALDH1A1KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112313224-A | ATF6 inhibitors and uses thereof | 黑带医疗有限责任公司 | 2021-02-02 | — | — | CN | disclosed |