Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3573044 | 0.98 | NOS1 (0.39) | NOS1KDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL14403234 | 0.86 | NOS1 (0.40) | NOS1KDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL6444231 | 0.84 | NOS1 (0.40) | NOS1KDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL1981722 | 0.84 | ALDH1A1 (0.41) | NOS1KDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL3528804 | 0.79 | MAPK1 (0.41) | NOS1KDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL22497884 | 0.76 | ALDH1A1 (0.40) | NOS1KDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL3526052 | 0.76 | KDM4E (0.40) | NOS1KDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL3528784 | 0.76 | ALDH1A1 (0.40) | NOS1KDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL853172 | 0.76 | ALDH1A1 (0.40) | NOS1KDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL9982658 | 0.75 | NOS1 (0.68) | NOS1KDM4EALDH1A1HSD17B10MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109553619-A | A kind of preparation method of methotrexate (MTX) | 北京斯利安药业有限公司 | 2019-04-02 | — | — | CN | claimed |
| CN-109553619-A | A kind of preparation method of methotrexate (MTX) | 北京斯利安药业有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109553619-A | A kind of preparation method of methotrexate (MTX) | 北京斯利安药业有限公司 | 2019-04-02 | — | — | CN | disclosed |
| EP-2150514-A2 | 18F-LABELLED FOLATES | Merck Eprova AG (CH) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008125617-A2 | 18F-LABELLED FOLATES | MERCK EPROVA AG (CH) | 2008-10-23 | — | — | WO | disclosed |