Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738413 | 0.75 | PPARA (0.36) | ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL7736596 | 0.71 | MEN1 (0.33) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL2331138 | 0.66 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL2329888 | 0.66 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL8410894 | 0.66 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL3485811 | 0.61 | NAALAD2 (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL28268750 | 0.60 | MEN1 (0.39) | ELANEALDH1A1CYP2C9HSD17B10KDM4E | |
| SCHEMBL17911429 | 0.59 | CYP3A4 (0.72) | ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL27914028 | 0.59 | CYP3A4 (0.72) | ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL22033119 | 0.59 | BLM (0.56) | ALDH1A1CYP3A4HSD17B10KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |