Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CASP1 | P29466 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | ANPEP | P15144 | 2/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11723903 | 0.89 | ESR1 (0.50) | ALDH1A1CASP1NPC1TSHRRAB9A | |
| SCHEMBL11721611 | 0.81 | ALDH1A1 (0.62) | ALDH1A1CASP1NPC1TSHRRAB9A | |
| SCHEMBL11620230 | 0.81 | NPC1 (0.48) | ALDH1A1CASP1NPC1TSHRRAB9A | |
| SCHEMBL11726568 | 0.81 | CA12 (0.52) | ALDH1A1CASP1TSHRMEN1KMT2A | |
| SCHEMBL18806460 | 0.79 | CYP3A4 (0.61) | ALDH1A1CASP1NPC1TSHRRAB9A | |
| SCHEMBL11726162 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CASP1NPC1TSHRRAB9A | |
| SCHEMBL11615649 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CASP1NPC1TSHRRAB9A | |
| SCHEMBL9468786 | 0.77 | ALDH1A1 (0.78) | ALDH1A1CASP1NPC1TSHRRAB9A | |
| SCHEMBL11719885 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CASP1NPC1TSHRRAB9A | |
| SCHEMBL11722412 | 0.77 | SCN2A (0.55) | ALDH1A1CASP1NPC1TSHRRAB9A |
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-4025505-A | ANTICONVULSANTS | CIBA-GEIGY CORPORATION (US) | 1977-05-24 | — | — | US | disclosed |