Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | PAM | P19021 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28514854 | 0.88 | KMT2A (0.42) | ALDH1A1RECQLGAATDP1TSHR | |
| SCHEMBL790911 | 0.81 | ALDH1A1 (0.36) | ALDH1A1RECQLTDP1TSHRIDO1 | |
| SCHEMBL1891350 | 0.78 | ALDH1A1 (0.43) | ALDH1A1RECQLTDP1IDO1AKR1B10 | |
| SCHEMBL815747 | 0.77 | MEN1 (0.39) | ALDH1A1MEN1KMT2ACYP2D6 | |
| SCHEMBL635906 | 0.77 | TAAR1 (0.46) | ALDH1A1TDP1TSHRIDO1ESR1 | |
| SCHEMBL2122339 | 0.76 | MEN1 (0.44) | ALDH1A1GAATSHRMEN1KMT2A | |
| SCHEMBL9798232 | 0.75 | ALDH1A1 (0.39) | ALDH1A1TSHRIDO1MAOBCYP2A6 | |
| SCHEMBL9302860 | 0.75 | MAOB (0.54) | ALDH1A1RECQLIDO1AKR1B10AKR1B1 | |
| SCHEMBL3657712 | 0.74 | KCNA3 (0.38) | IDO1PPARA | |
| SCHEMBL317685 | 0.74 | LTA4H (0.47) | ALDH1A1TDP1TSHRMEN1KMT2A |
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-3224237-A1 | NECROSIS INHIBITORS | National Institute Of Biological Sciences, Beijing (CN) | 2017-10-04 | — | — | EP | disclosed |
| WO-2016101885-A1 | NECROSIS INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2016-06-30 | — | — | WO | disclosed |