Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23016861 | 0.82 | P2RX7 (0.36) | CES2CES1LIPGALDH1A1DNM1 | |
| SCHEMBL17817514 | 0.81 | ALDH1A1 (0.40) | CES2CES1ALDH1A1MEN1TP53 | |
| SCHEMBL233478 | 0.76 | ALDH1A1 (0.45) | CES2CES1ALDH1A1MEN1TP53 | |
| SCHEMBL17817574 | 0.76 | CES2 (0.41) | CES2CES1LIPGALDH1A1DNM1 | |
| SCHEMBL7329821 | 0.76 | CES2 (0.41) | CES2CES1LIPGALDH1A1DNM1 | |
| SCHEMBL5073895 | 0.76 | CES2 (0.41) | CES2CES1LIPGALDH1A1DNM1 | |
| SCHEMBL10357516 | 0.76 | CES2 (0.41) | CES2CES1LIPGALDH1A1DNM1 | |
| SCHEMBL9815169 | 0.76 | CES2 (0.41) | CES2CES1LIPGALDH1A1DNM1 | |
| SCHEMBL587114 | 0.76 | CES2 (0.41) | CES2CES1LIPGALDH1A1DNM1 | |
| SCHEMBL12040835 | 0.76 | CES2 (0.41) | CES2CES1LIPGALDH1A1DNM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3229811-B1 | PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS | GRI BIO INC (US) | 2021-02-24 | — | — | EP | disclosed |
| EP-3229811-B1 | PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS | GRI BIO INC (US) | 2021-02-24 | — | — | EP | disclosed |