Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | PDE2A | O00408 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL15084345 | 1.00 | ACHE (0.67) | ACHEALDH1A1SMN1; SMN2TP53KMT2A | |
| SCHEMBL15084359 | 0.90 | ACHE (0.81) | ACHEALDH1A1SMN1; SMN2TP53KMT2A | |
| SCHEMBL10869575 | 0.83 | MPO (0.59) | ACHEALDH1A1CYP3A4CYP2C19TSHR | |
| SCHEMBL17086656 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KMT2ACYP2A13PDE2ACYP3A4 | |
| SCHEMBL2306083 | 0.83 | TSHR (0.66) | ACHEALDH1A1SMN1; SMN2KMT2ASIGMAR1 | |
| SCHEMBL15084327 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KMT2ACYP2A13PDE2ACYP3A4 | |
| SCHEMBL15084361 | 0.83 | CYP3A4 (0.48) | ACHEALDH1A1TP53KMT2ALMNA | |
| SCHEMBL15084346 | 0.81 | KMT2A (0.60) | ALDH1A1KMT2APDE2AMEN1 | |
| SCHEMBL15084316 | 0.81 | TSHR (0.71) | ACHEKMT2APDE2AMEN1TSHR | |
| SCHEMBL15081956 | 0.81 | ALDH1A1 (0.55) | ACHEALDH1A1SMN1; SMN2KMT2ASIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3141252-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Inc. (US) | 2017-03-15 | — | — | EP | disclosed |