Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL988065 | 0.88 | THRB (0.42) | ALDH1A1THRBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL988750 | 0.79 | PIK3CA (0.48) | PIK3CAPIK3CB | |
| SCHEMBL4055690 | 0.78 | LMNA (0.36) | ALDH1A1MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL988982 | 0.73 | NOTUM (0.39) | ALDH1A1MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL988707 | 0.73 | PIK3CA (0.51) | MEN1KMT2ARAB9ANPC1PIK3CA | |
| SCHEMBL991392 | 0.72 | NOTUM (0.50) | MEN1KMT2ARAB9ANPC1LMNA | |
| SCHEMBL989938 | 0.72 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C19MEN1KMT2A | |
| SCHEMBL989816 | 0.68 | THRB (0.40) | THRBMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL1516807 | 0.68 | RAB9A (0.42) | ALDH1A1MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL989371 | 0.68 | KDM4E (0.41) | ALDH1A1CYP2C9CYP2C19MEN1KMT2A |
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-2276767-A1 | BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2011-01-26 | — | — | EP | disclosed |