Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | VCP | P55072 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28871050 | 0.90 | CYP3A4 (0.80) | CYP3A4TSHRACHELMNAALOX12 | |
| Benzene SCHEMBL28766229 | 0.88 | CYP3A4 (0.61) | CYP3A4TSHRLMNATRPA1GABRA1 | |
| Toluene SCHEMBL17981107 | 0.87 | CYP3A4 (0.63) | CYP3A4TSHRACHELMNAALOX12 | |
| Hexamethylbenzene SCHEMBL28101399 | 0.86 | CYP3A4 (0.74) | CYP3A4TSHRACHETRPA1GABRA1 | |
| SCHEMBL15431 | 0.85 | CYP3A4 (0.64) | CYP3A4TSHRLMNATRPA1GABRA1 | |
| SCHEMBL29395383 | 0.85 | CYP3A4 (0.64) | CYP3A4TSHRLMNATRPA1GABRA1 | |
| Toluene SCHEMBL28941697 | 0.85 | CYP3A4 (0.71) | CYP3A4TSHRACHELMNAALOX12 | |
| Toluene SCHEMBL28374872 | 0.83 | CYP3A4 (0.48) | CYP3A4TSHRACHELMNAALOX12 | |
| Toluene SCHEMBL27882185 | 0.83 | CYP3A4 (0.53) | CYP3A4TSHRACHELMNAALOX12 | |
| Water SCHEMBL28526910 | 0.83 | CYP3A4 (0.61) | CYP3A4TSHRLMNATRPA1GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102343698-B | Hard film and preparation method thereof | BYD CO LTD | 2015-01-14 | — | — | CN | disclosed |
| CN-102343698-A | Hard film and preparation method thereof | BYD CO LTD | 2012-02-08 | — | — | CN | disclosed |