Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CPT1A | P50416 | 6/20 | 0.48 |
| ▸ | CPT2 | P23786 | 4/20 | 0.48 |
| ▸ | CPT1B | Q92523 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PKLR | P30613 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 4/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24286304 | 0.91 | NPC1 (0.52) | CYP3A4CYP2D6POLBMEN1TP53 | |
| SCHEMBL24286419 | 0.85 | CPT1A (0.60) | CYP3A4CYP2D6MEN1TP53MAPT | |
| SCHEMBL24286495 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2D6POLBMEN1TP53 | |
| SCHEMBL24286298 | 0.84 | ALDH1A1 (0.49) | CYP3A4CYP2D6POLBMEN1TP53 | |
| SCHEMBL24286809 | 0.83 | CYP2C9 (0.51) | CYP3A4CYP2D6POLBMEN1TP53 | |
| SCHEMBL24286286 | 0.82 | POLB (0.46) | CYP3A4CYP2D6POLBMEN1TP53 | |
| SCHEMBL24286462 | 0.82 | ALDH1A1 (0.47) | CYP3A4CYP2D6POLBMEN1TP53 | |
| SCHEMBL24286691 | 0.80 | CPT1A (0.51) | CYP3A4CYP2D6MEN1TP53MAPT | |
| SCHEMBL24286198 | 0.80 | RORC (0.63) | CPT1ACPT2CPT1BPKMPKLR | |
| SCHEMBL24286447 | 0.79 | CPT1A (0.51) | CYP3A4CYP2D6MEN1TP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3307738-B1 | ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE | UNIV MICHIGAN REGENTS (US) | 2022-04-20 | — | — | EP | disclosed |