Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Tetraethylene Glycol SCHEMBL9310030 | 0.91 | ALDH1A1 (0.43) | TSHRMAPK1TRPA1ATMMEN1 | |
| O-Xylene SCHEMBL27533464 | 0.87 | TSHR (0.50) | TSHRMAPK1MEN1KMT2ACYP1A2 | |
| Tetraethylene Glycol SCHEMBL9860297 | 0.85 | MEN1 (0.52) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Catechol SCHEMBL3905550 | 0.84 | ALDH1A1 (0.53) | TSHRMAPK1MEN1KMT2AIDO1 | |
| Catechol SCHEMBL6689005 | 0.84 | ALDH1A1 (0.53) | TSHRMAPK1MEN1KMT2AIDO1 | |
| Orthocresol SCHEMBL7088805 | 0.84 | TRPA1 (0.50) | TSHRMAPK1TRPA1ATMMEN1 | |
| Orthocresol SCHEMBL27258627 | 0.82 | TSHR (0.40) | TSHRMAPK1TRPA1ATMMEN1 | |
| Orthocresol SCHEMBL10343638 | 0.80 | TSHR (0.43) | TSHRTRPA1ATMCYP1A2CYP2C19 | |
| Orthocresol SCHEMBL27625293 | 0.80 | TRPA1 (0.50) | TSHRMAPK1TRPA1ATMMEN1 | |
| Orthocresol SCHEMBL2814754 | 0.79 | TRPA1 (0.55) | TSHRMAPK1TRPA1ATMMEN1 |
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-104877737-A | Emulsification cutting fluid for special aerospace equipment material, preparation method and uses thereof | SHANGHAI PETROFER SPECIAL LUBRICATING AGENT CO LTD | 2015-09-02 | — | — | CN | disclosed |