Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | IDH1 | O75874 | 9/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.32 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.31 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.31 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.31 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.31 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.31 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27741639 | 0.93 | CYP11B1 (0.35) | CTSDBACE1HSD11B1IDH1TRPV1 | |
| SCHEMBL4517557 | 0.90 | CTSD (0.37) | CTSDBACE1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4508998 | 0.90 | CTSD (0.37) | CTSDBACE1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL27762379 | 0.89 | ESR1 (0.36) | BACE1 | |
| SCHEMBL27762209 | 0.85 | CTSD (0.35) | CTSDBACE1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4510222 | 0.82 | CYP11B1 (0.36) | CTSDBACE1MEN1KMT2AHSD11B1 | |
| SCHEMBL4496169 | 0.81 | SMN1; SMN2 (0.38) | MEN1KMT2ASMN1; SMN2HSD11B1P2RY1 | |
| SCHEMBL4512205 | 0.81 | HSD11B1 (0.36) | MEN1KMT2ASMN1; SMN2HSD11B1TRPV1 | |
| SCHEMBL4491513 | 0.79 | CETP (0.41) | — | |
| SCHEMBL27762208 | 0.78 | TOP2A (0.35) | CTSDBACE1HSD11B1IDH1TRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101443321-B | Substituted chromanol derivatives and uses thereof | BAYER SCHERING PHARMA AG | 2012-09-26 | — | — | CN | disclosed |
| CN-101443321-A | Substituted chromanol derivatives and uses thereof | BAYER HEALTHCARE AG (DE) | 2009-05-27 | — | — | CN | disclosed |