Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL28388336 | 0.87 | CYP1A2 (0.57) | CYP1A2KDM4ETRPA1ATMCYP2C19 | |
| O-Xylene SCHEMBL27667248 | 0.86 | CYP1A2 (0.59) | CYP1A2KDM4ETRPA1CYP2C19ALDH1A1 | |
| Catechol SCHEMBL27780229 | 0.84 | ALDH1A1 (0.56) | CYP1A2KDM4ECYP2C19ALDH1A1LMNA | |
| Glycerin SCHEMBL27549627 | 0.83 | TRPA1 (0.68) | CYP1A2KDM4ETRPA1ATMALDH1A1 | |
| Orthocresol SCHEMBL7088805 | 0.81 | TRPA1 (0.50) | CYP1A2KDM4ETRPA1ATMCYP2C19 | |
| Orthocresol SCHEMBL29060427 | 0.81 | TRPA1 (0.50) | CYP1A2KDM4ETRPA1ATMCYP2C19 | |
| Orthocresol SCHEMBL27625293 | 0.81 | TRPA1 (0.50) | CYP1A2KDM4ETRPA1ATMCYP2C19 | |
| Orthocresol SCHEMBL8710164 | 0.81 | TRPA1 (0.60) | CYP1A2KDM4ETRPA1ATMCYP2C19 | |
| Orthocresol SCHEMBL16002 | 0.81 | — | — | |
| Orthocresol SCHEMBL29395276 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105315755-A | Color-variable putty powder and preparation method thereof | LIN YUEYU | 2016-02-10 | — | — | CN | disclosed |