Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MGLL | Q99685 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20008190 | 0.83 | RAB9A (0.45) | RAB9AMGLLALDH1A1CA1CA2 | |
| SCHEMBL7047820 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL15648038 | 0.76 | MGLL (0.72) | RAB9AMGLLALDH1A1LMNAENPP2 | |
| SCHEMBL14355361 | 0.76 | ALDH1A1 (0.41) | ALDH1A1LMNATSHR | |
| SCHEMBL20008194 | 0.75 | ALDH1A1 (0.46) | RAB9AALDH1A1CA1CA2CA12 | |
| SCHEMBL27548498 | 0.74 | HTR6 (0.42) | ALDH1A1LMNAKMT2ATSHR | |
| SCHEMBL6205726 | 0.74 | SIRT2 (0.45) | RAB9AMGLLALDH1A1LMNAENPP2 | |
| SCHEMBL26812910 | 0.73 | ALDH1A1 (0.55) | RAB9AALDH1A1CA1CA2CA12 | |
| SCHEMBL3295049 | 0.73 | NEK2 (0.43) | — | |
| SCHEMBL23547095 | 0.72 | CA12 (0.50) | RAB9AMGLLALDH1A1CA1CA2 |
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-20180086918-A1 | MIXTURES OF REACTIVE DYES AND THEIR USE FOR THE DYING OR PRINTING FIBRE MATERIALS | HUNTSMAN INTERNATIONAL LLC | 2018-03-29 | — | — | US | disclosed |