Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | IL1RN | P18510 | 1/20 | 0.40 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9736486 | 0.83 | NPC1 (0.48) | ALDH1A1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL9736491 | 0.83 | NPC1 (0.48) | ALDH1A1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL22714095 | 0.83 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9ANFKB1NFKB2 | |
| Hydrochloric Acid SCHEMBL9735235 | 0.81 | NPC1 (0.47) | ALDH1A1NPC1RAB9ANFKB1NFKB2 | |
| Hydrochloric Acid SCHEMBL9735236 | 0.81 | NPC1 (0.47) | ALDH1A1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL223592 | 0.77 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL223591 | 0.77 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL27468347 | 0.75 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL11331899 | 0.72 | — | — | |
| Benzene SCHEMBL10426584 | 0.70 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ANFKB1NFKB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1067419-C | Reactive dyestuffs their preparation and their use | BAYER AG (DE) | 2001-06-20 | — | — | CN | disclosed |
| CN-1106845-A | Reactive dyestuffs their preparation and their use | BAYER AG (DE) | 1995-08-16 | — | — | CN | disclosed |