Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TRPM7 | Q96QT4 | 1/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL11641051 | 0.84 | LMNA (0.33) | ALDH1A1LMNACYP2C19 | |
| SCHEMBL11636646 | 0.84 | L3MBTL1 (0.35) | ALDH1A1LMNACYP3A4CYP2C19RAB9A | |
| SCHEMBL20057247 | 0.81 | NLRP3 (0.36) | NLRP3PDK1TSHRALDH1A1LMNA | |
| SCHEMBL11634622 | 0.81 | NLRP3 (0.36) | NLRP3PDK1TSHRALDH1A1LMNA | |
| SCHEMBL20057246 | 0.80 | NLRP3 (0.35) | NLRP3PDK1ALDH1A1 | |
| SCHEMBL20057250 | 0.79 | NLRP3 (0.35) | NLRP3PDK1ALDH1A1HSD17B10 | |
| SCHEMBL7921646 | 0.71 | PDK1 (0.40) | NLRP3PDK1TSHRALDH1A1LMNA | |
| SCHEMBL259449 | 0.70 | NLRP3 (0.36) | NLRP3PDK1TSHRALDH1A1LMNA | |
| SCHEMBL260743 | 0.70 | NLRP3 (0.36) | NLRP3PDK1TSHRALDH1A1LMNA | |
| SCHEMBL11639208 | 0.68 | LMNA (0.32) | ALDH1A1LMNACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4107289-A | Use of substituted pyrans as deodorant chemicals | NAARDEN INTERNATIONAL HOLLAND, B.V. (NL) | 1978-08-15 | — | — | US | disclosed |