Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | HTR2B | P41595 | 3/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 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 | |
|---|---|---|---|---|
| SCHEMBL26654693 | 0.79 | HTR2A (0.44) | CYP3A4ALDH1A1MAPK1TP53MAPT | |
| SCHEMBL10916352 | 0.76 | CYP11B1 (0.40) | CYP11B1CYP11B2TSHRNPSR1GAA | |
| SCHEMBL3959099 | 0.75 | CYP3A4 (0.43) | CYP3A4ALDH1A1MAPK1MAPTCYP11B1 | |
| SCHEMBL10919689 | 0.72 | ALDH1A1 (0.36) | ALDH1A1MAPK1MAPTHTTRAB9A | |
| SCHEMBL6606966 | 0.72 | PDE3B (0.56) | ALDH1A1MAPTCYP11B1CYP11B2SRC | |
| SCHEMBL10917472 | 0.70 | PGR (0.50) | AKR1B1 | |
| SCHEMBL13382354 | 0.70 | TP53 (0.60) | ALDH1A1TP53MAPTPKM | |
| SCHEMBL3068531 | 0.69 | AHR (0.56) | MAPK1MAPTHTR2AHTR2CHTR2B | |
| SCHEMBL10572961 | 0.69 | CYP11B1 (0.52) | CYP3A4ALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL5103050 | 0.67 | CYP11B1 (0.47) | CYP11B1CYP11B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0093922-B1 | BENZOXAZIN-2-ONES, THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THESE COMPOUNDS | Dr. Karl Thomae GmbH (DE) | 1986-12-30 | — | — | EP | disclosed |
| US-4518597-A | THROMBOSIS, ARTERIOSCLEROSIS, ANTITUMOR, ANTICOAGULANTS | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | disclosed |
| EP-0093922-A2 | Benzoxazin-2-ones, their preparation and therapeutic agents containing these compounds | Dr. Karl Thomae GmbH (DE) | 1983-11-16 | — | — | EP | disclosed |