Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 6/20 | 0.35 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27924300 | 0.83 | RAB9A (0.35) | POLBMAPTKMT2ANPC1RAB9A | |
| SCHEMBL29453741 | 0.81 | EGFR (0.50) | EGFRMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL334079 | 0.81 | EGFR (0.50) | EGFRMAPTNPC1RAB9ASMN1; SMN2 | |
| Nitrous Acid SCHEMBL28033243 | 0.79 | PARP1 (0.47) | EGFRPOLBKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL3583155 | 0.78 | TSHR (0.52) | EGFRMAPTKMT2AHPGDALDH1A1 | |
| Nitrous Acid SCHEMBL27969683 | 0.77 | EGFR (0.50) | EGFRKMT2ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL5190356 | 0.77 | POLB (0.52) | EGFRPOLBKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL23345398 | 0.77 | EGFR (0.43) | EGFRPOLBMAPTKMT2ASMN1; SMN2 | |
| SCHEMBL27564870 | 0.77 | NPC1 (0.43) | POLBMAPTKMT2ANPC1RAB9A | |
| SCHEMBL27644815 | 0.76 | TUBB4A (0.40) | NPC1RAB9AALDH1A1PKM |
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 |
|---|---|---|---|---|---|---|---|
| CN-102858742-A | Trpv1 vanilloid receptor antagonists with a bicyclic portion | PHARMESTE SRL | 2013-01-02 | — | — | CN | disclosed |