Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.47 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28362408 | 0.98 | SMN1; SMN2 (0.52) | ALDH1A1CYP3A4TP53LMNAGAA | |
| SCHEMBL3206894 | 0.98 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TP53LMNAGAA | |
| Ethane SCHEMBL11641802 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TP53LMNAGAA | |
| SCHEMBL11483975 | 0.95 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TP53LMNAGAA | |
| SCHEMBL5695564 | 0.91 | ALDH1A1 (0.67) | ALDH1A1CYP3A4TP53LMNAGAA | |
| SCHEMBL8848085 | 0.88 | — | — | |
| SCHEMBL8739516 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP3A4TP53LMNAGAA | |
| SCHEMBL1605115 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP3A4TP53LMNAGAA | |
| SCHEMBL1528011 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP3A4TP53LMNAGAA | |
| SCHEMBL28908738 | 0.78 | ALDH1A1 (0.63) | ALDH1A1CYP3A4TP53LMNAGAA |
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-0266552-A1 | Process for production of isothiocyanates | STAUFFER CHEMICAL COMPANY (US) | 1988-05-11 | — | — | EP | disclosed |
| US-4713467-A | OXIDATION OF DITHIOCARBAMATES; METAL CATALYST; H CONTROL | STAUFFER CHEMICAL COMPANY (US) | 1987-12-15 | — | — | US | disclosed |