Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL44722 | 0.85 | RAB9A (0.36) | CYP1A2RAB9AMEN1KMT2A | |
| SCHEMBL209495 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28503994 | 0.79 | RAB9A (0.38) | CYP1A2TDP1RAB9AMEN1KMT2A | |
| SCHEMBL15217805 | 0.78 | CYP1A2 (0.40) | CYP1A2TDP1KMT2A | |
| SCHEMBL22025526 | 0.74 | KMT2A (0.42) | CYP1A2MEN1KMT2A | |
| SCHEMBL12360476 | 0.73 | RAB9A (0.43) | RAB9AMEN1KMT2A | |
| SCHEMBL8325180 | 0.72 | RAB9A (0.34) | RAB9AMEN1KMT2A | |
| SCHEMBL17152619 | 0.70 | ALDH1A1 (0.43) | MEN1KMT2A | |
| Sulfuric Acid SCHEMBL28501743 | 0.70 | RAB9A (0.38) | CYP1A2TDP1RAB9AMEN1KMT2A | |
| SCHEMBL8440512 | 0.69 | TDP1 (0.35) | CYP1A2TDP1 |
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-3310767-B1 | 2,5-DISUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AS NADPH OXIDASE 4 INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2020-07-22 | — | — | EP | disclosed |