Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1412722 | 0.73 | ALDH1A1 (0.40) | LMNASLC6A4MEN1KMT2AALDH1A1 | |
| SCHEMBL14302277 | 0.72 | STS (0.41) | MEN1KMT2AALDH1A1HPGDGAA | |
| SCHEMBL28242521 | 0.72 | NR5A1 (0.36) | LMNAMEN1KMT2ACES2CES1 | |
| SCHEMBL9779438 | 0.66 | LMNA (0.39) | AKT1LMNAMEN1CYP3A4CYP2C19 | |
| SCHEMBL9836350 | 0.66 | TDP1 (0.44) | LMNASLC6A2MEN1CYP2C19KMT2A | |
| Benzoic Acid SCHEMBL30695876 | 0.65 | TSHR (0.61) | AKT1LMNAMEN1CYP3A4KMT2A | |
| SCHEMBL18499423 | 0.64 | NR5A2 (0.37) | LMNACES2CES1ALDH1A1HPGD | |
| SCHEMBL12020283 | 0.64 | SLC6A2 (0.44) | LMNASLC6A2SLC6A4 | |
| SCHEMBL3792328 | 0.62 | AKT1 (0.39) | AKT1LMNAKMT2ATSHRCES2 | |
| SCHEMBL18104834 | 0.62 | LMNA (0.38) | LMNAMEN1CYP3A4KMT2ACES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4487946-A | USING QUATERNARY AMONIUM OR PHOSPHONIUM CATALYST | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1984-12-11 | — | — | US | disclosed |