Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL634359 | 0.79 | ALDH1A1 (0.59) | TAAR1CYP2A13KMT2AEGFRLMNA | |
| SCHEMBL15653291 | 0.71 | CYP2A13 (0.47) | TAAR1CYP2A13KMT2ALMNACYP2C19 | |
| Hydrochloric Acid SCHEMBL28522523 | 0.70 | ALDH1A1 (0.47) | TAAR1CYP2A13LMNAGAAHTT | |
| SCHEMBL9857399 | 0.70 | CA5A (0.82) | TAAR1CYP2A13KMT2AEGFRLMNA | |
| SCHEMBL15177631 | 0.70 | EGFR (0.46) | TAAR1CYP2A13KMT2AEGFRLMNA | |
| SCHEMBL633646 | 0.70 | KMT2A (0.53) | TAAR1CYP2A13KMT2APKMMEN1 | |
| SCHEMBL19086903 | 0.69 | ADORA2A (0.33) | KMT2AALDH1A1 | |
| SCHEMBL7486328 | 0.69 | KMT2A (0.44) | KMT2AEGFRLMNACYP2C19PKM | |
| SCHEMBL9858008 | 0.68 | CYP2C19 (0.65) | KMT2AEGFRLMNACYP2C19MEN1 | |
| SCHEMBL2115291 | 0.67 | EGFR (0.43) | TAAR1CYP2A13KMT2AEGFRLMNA |
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-2999338-B1 | KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2017-07-12 | — | — | EP | disclosed |