Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL7279870 | 0.86 | ALDH1A1 (0.34) | ALDH1A1RAB9ASMN1; SMN2HSD17B10HPGD | |
| SCHEMBL232066 | 0.85 | — | — | |
| Dimethyl Sulfoxide SCHEMBL9398547 | 0.78 | RAB9A (0.31) | RAB9ASMN1; SMN2 | |
| Acetonitrile SCHEMBL8317376 | 0.78 | GAA (0.32) | RAB9ASMN1; SMN2 | |
| SCHEMBL19333960 | 0.77 | EPHX1 (0.41) | EPHX1ALDH1A1TDP1HPGD | |
| SCHEMBL8948314 | 0.77 | EPHX1 (0.37) | EPHX1ALDH1A1RAB9ASMN1; SMN2HSD17B10 | |
| Acetic Acid SCHEMBL7279012 | 0.76 | RAB9A (0.39) | ALDH1A1RAB9ASMN1; SMN2HSD17B10NPC1 | |
| SCHEMBL13591362 | 0.76 | — | — | |
| SCHEMBL4396424 | 0.76 | — | — | |
| SCHEMBL14037948 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5447945-A | Controlling or preventing nematocidal attack on cultivated plants with nitro- or halo-substituted benzisothiazoles | CIBA-GEIGY CORPORATION (US) | 1995-09-05 | — | — | US | disclosed |
| US-5169951-A | PROCESS FOR PREPARING NEMATICIDAL COMPOSITIONS | CIBA-GEIGY CORPORATION (US) | 1992-12-08 | — | — | US | disclosed |
| US-4298535-A | INTERMEDIATES FOR ANTHRACYCLINE ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1981-11-03 | — | — | US | disclosed |
| US-4264510-A | Intermediates in the production of anthracycline antibiotics | HOFFMANN-LA ROCHE INC. (US) | 1981-04-28 | — | — | US | disclosed |