Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 4/20 | 0.38 |
| ▸ | RECQL | P46063 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.38 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.38 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL20819588 | 0.90 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2ERN1CNR2ACHE | |
| SCHEMBL20819553 | 0.86 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2ERN1MAPTPKM | |
| SCHEMBL20819684 | 0.85 | SELL (0.39) | KDM4EACHEKMT2ATPMT | |
| SCHEMBL20819548 | 0.81 | LPAR1 (0.46) | ALDH1A1SMN1; SMN2LPAR1KMT2A | |
| SCHEMBL20819605 | 0.81 | TSHR (0.42) | ALDH1A1SMN1; SMN2MAPTNPC1LPAR1 | |
| SCHEMBL20819567 | 0.77 | PTGDR2 (0.40) | ALDH1A1SMN1; SMN2ERN1LPAR1 | |
| SCHEMBL20819536 | 0.76 | CYP3A4 (0.36) | ALDH1A1POLBKDM4EMAPTCA2 | |
| SCHEMBL31045607 | 0.75 | MAP3K14 (0.41) | ALDH1A1ERN1POLBKDM4EMAPT | |
| SCHEMBL20819549 | 0.74 | HPGD (0.40) | ALDH1A1POLBKDM4EMAPTKMT2A | |
| SCHEMBL20819570 | 0.73 | KMT2A (0.38) | SMN1; SMN2NPC1KMT2A |
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-3681864-A1 | MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE | AbbVie Overseas S.à r.l. (LU) | 2020-07-22 | — | — | EP | disclosed |
| WO-2019053634-A1 | MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE | AbbVie S.à.r.l. (LU) | 2019-03-21 | — | — | WO | disclosed |