Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzenethiol SCHEMBL2363307 | 0.86 | TSHR (0.56) | CYP3A4ALDH1A1HSD17B10TSHRMAPT | |
| Benzene SCHEMBL21624953 | 0.85 | MAPT (0.53) | CYP3A4ALDH1A1HSD17B10TSHRMAPT | |
| Naphthalene SCHEMBL28374813 | 0.85 | CYP3A4 (0.67) | CYP3A4ALDH1A1HSD17B10TSHRMAPT | |
| SCHEMBL49836 | 0.85 | — | — | |
| Methane SCHEMBL747668 | 0.82 | — | — | |
| SCHEMBL8219033 | 0.82 | — | — | |
| SCHEMBL5316147 | 0.82 | — | — | |
| Water SCHEMBL28904254 | 0.82 | — | — | |
| SCHEMBL62645 | 0.77 | ALDH1A1 (0.69) | CYP3A4ALDH1A1HSD17B10TSHRMAPT | |
| Aniline SCHEMBL8756429 | 0.77 | TSHR (0.69) | CYP3A4ALDH1A1HSD17B10TSHRMAPT |
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-4275077-A | Insecticidal acyl urea derivatives | CELAMERCK GMBH & CO. KG (DE) | 1981-06-23 | — | — | US | disclosed |