Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.48 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18665805 | 0.84 | CYP11B1 (0.49) | GPR84NQO1ALOX5MEN1KMT2A | |
| SCHEMBL29510228 | 0.84 | CYP11B1 (0.49) | GPR84NQO1ALOX5MEN1KMT2A | |
| SCHEMBL22229677 | 0.82 | CYP11B1 (0.47) | GPR84NQO1ALOX5MEN1KMT2A | |
| SCHEMBL14327784 | 0.82 | HSP90AA1 (0.48) | GPR84NQO1ALOX5MEN1KMT2A | |
| SCHEMBL30364453 | 0.82 | CYP11B1 (0.47) | GPR84NQO1ALOX5MEN1KMT2A | |
| SCHEMBL18912212 | 0.80 | CYP11B1 (0.44) | GPR84NQO1ALOX5CYP11B1CYP11B2 | |
| SCHEMBL14327773 | 0.80 | GPR84 (0.47) | GPR84NQO1ALOX5MEN1KMT2A | |
| SCHEMBL12583072 | 0.79 | GPR84 (0.43) | GPR84ALOX5MEN1KMT2AGAA | |
| SCHEMBL14327783 | 0.79 | MEN1 (0.47) | GPR84NQO1ALOX5MEN1KMT2A | |
| SCHEMBL18575590 | 0.79 | GPR84 (0.44) | GPR84NQO1ALOX5MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| US-20200234798-A1 | EXTRAPOLATIVE PREDICTION OF ENANTIOSELECTIVITY ENABLED BY COMPUTER-DRIVEN WORKFLOW, NEW MOLECULAR REPRESENTATIONS AND MACHINE LEARNING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2020-07-23 | — | — | US | disclosed |