Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GSTK1 | Q9Y2Q3 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 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 | |
|---|---|---|---|---|
| SCHEMBL5505753 | 0.95 | ALDH1A1 (0.48) | ALDH1A1TDP1LMNACYP3A4TSHR | |
| SCHEMBL7755390 | 0.93 | LMNA (0.52) | ALDH1A1TDP1LMNACYP3A4TSHR | |
| SCHEMBL28101187 | 0.93 | LMNA (0.52) | ALDH1A1TDP1LMNACYP3A4TSHR | |
| SCHEMBL9819401 | 0.93 | LMNA (0.52) | ALDH1A1TDP1LMNACYP3A4TSHR | |
| SCHEMBL10998500 | 0.93 | LMNA (0.52) | ALDH1A1TDP1LMNACYP3A4TSHR | |
| SCHEMBL10868798 | 0.93 | LMNA (0.52) | ALDH1A1TDP1LMNACYP3A4TSHR | |
| SCHEMBL186018 | 0.87 | — | — | |
| SCHEMBL10699211 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TDP1LMNACYP3A4TSHR | |
| SCHEMBL9744478 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TDP1LMNACYP3A4TSHR | |
| SCHEMBL26617320 | 0.85 | LMNA (0.52) | ALDH1A1TDP1LMNACYP3A4TSHR |
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-2280009-A1 | NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nippon Soda Co., Ltd. (JP) | 2011-02-02 | — | — | EP | disclosed |