Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.47 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | RXRB | P28702 | 2/20 | 0.36 |
| ▸ | RXRG | P48443 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30364453 | 1.00 | CYP11B1 (0.47) | CYP11B1CYP11B2P2RX1P2RX3P2RX4 | |
| SCHEMBL29510228 | 0.97 | CYP11B1 (0.49) | CYP11B1CYP11B2P2RX1P2RX3P2RX4 | |
| SCHEMBL18665805 | 0.97 | CYP11B1 (0.49) | CYP11B1CYP11B2P2RX1P2RX3P2RX4 | |
| SCHEMBL29805436 | 0.90 | CYP11B1 (0.45) | CYP11B1CYP11B2P2RX1P2RX3P2RX4 | |
| Phosphoric Acid SCHEMBL18641129 | 0.90 | CYP11B1 (0.47) | CYP11B1CYP11B2P2RX1P2RX3P2RX4 | |
| SCHEMBL3923123 | 0.90 | CYP11B1 (0.45) | CYP11B1CYP11B2P2RX1P2RX3P2RX4 | |
| SCHEMBL18912212 | 0.89 | CYP11B1 (0.44) | CYP11B1CYP11B2P2RX1P2RX3P2RX4 | |
| SCHEMBL18912084 | 0.83 | CYP11B1 (0.40) | CYP11B1CYP11B2P2RX1P2RX3P2RX4 | |
| SCHEMBL22229788 | 0.82 | GPR84 (0.48) | CYP11B1CYP11B2NQO1ALOX5RXRA | |
| SCHEMBL18665816 | 0.82 | CYP11B1 (0.41) | CYP11B1CYP11B2P2RX1P2RX3P2RX4 |
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 |