Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL2105680 | 0.82 | BACE1 (0.31) | — | |
| SCHEMBL2105887 | 0.80 | PDK2 (0.39) | CYP2A6CYP3A4ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL2105620 | 0.75 | ALDH1A1 (0.33) | CYP2A6CYP3A4ALDH1A1CYP1A2SLC22A12 | |
| SCHEMBL2104528 | 0.75 | CYP2A6 (0.33) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL23071560 | 0.71 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL16720499 | 0.69 | CYP2A6 (0.48) | CYP2A6CYP3A4ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL7449204 | 0.69 | CYP2A6 (0.48) | CYP2A6CYP3A4ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL9958033 | 0.68 | ALDH1A1 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL28592408 | 0.65 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL9419959 | 0.64 | HTR7 (0.39) | CYP2A6ALDH1A1HSD17B10KDM4ESMN1; SMN2 |
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-8163804-B2 | Composition for preventing harmful organisms | MITSUI CHEMICALS, INC. (JP) | 2012-04-24 | — | — | US | disclosed |