Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MDM4 | O15151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL393268 | 0.86 | MEN1 (0.41) | CYP2A6KEAP1ALDH1A1KDM4EMEN1 | |
| SCHEMBL17199962 | 0.77 | KDM4E (0.47) | ALDH1A1KDM4EMAPTHPGDTDP1 | |
| SCHEMBL806284 | 0.77 | LOXL2 (0.49) | CYP2A6ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL17199995 | 0.77 | IDH1 (0.49) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL3002661 | 0.77 | CYP19A1 (0.47) | CYP2A6MEN1KMT2ACYP2D6SLC6A2 | |
| SCHEMBL13191208 | 0.74 | CYP2A6 (0.50) | CYP2A6KEAP1ALDH1A1KDM4EMEN1 | |
| SCHEMBL723282 | 0.74 | AOC3 (0.48) | CYP2A6ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL29763767 | 0.74 | AOC3 (0.48) | CYP2A6ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL16030171 | 0.73 | CYP2A6 (0.47) | CYP2A6ALDH1A1KDM4ERAB9ACYP2D6 | |
| SCHEMBL188005 | 0.73 | CYP19A1 (0.51) | ALDH1A1KDM4EMEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604326-A1 | PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND | FUJIFILM Corporation (JP) | 2020-02-05 | — | — | EP | disclosed |
| WO-2017205972-A1 | SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER | GENOMEDX BIOSCIENCES, INC. (CA) | 2017-12-07 | — | — | WO | disclosed |