Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL6415380 | 0.80 | CNR2 (0.52) | P2RX7NPC1RAB9ACYP2C9KMT2A | |
| SCHEMBL16653076 | 0.78 | P2RX7 (0.54) | P2RX7SMN1; SMN2LMNATSHRNPC1 | |
| SCHEMBL13388574 | 0.78 | HPGDS (0.36) | SMN1; SMN2RIPK1ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL2538917 | 0.78 | NPC1 (0.41) | SMN1; SMN2ALDH1A1LMNAL3MBTL1NPC1 | |
| SCHEMBL161652 | 0.77 | SMN1; SMN2 (0.39) | SMN1; SMN2RIPK1ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL1834472 | 0.76 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1LMNAL3MBTL1NPC1 | |
| SCHEMBL2363536 | 0.75 | P2RX7 (0.60) | P2RX7RIPK1ALDH1A1LMNANPC1 | |
| SCHEMBL26750121 | 0.74 | P2RX7 (0.53) | P2RX7TSHR | |
| SCHEMBL163050 | 0.74 | SMN1; SMN2 (0.58) | P2RX7SMN1; SMN2RIPK1ALDH1A1TSHR | |
| SCHEMBL268817 | 0.74 | P2RX7 (0.65) | P2RX7SMN1; SMN2RIPK1ALDH1A1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103582629-B | As 5-(phenyl/pyridyl-ethynyl)-2-pyridine/2-pyrimidine-methane amide of MGLUR5 conditioning agent | HOFFMAN-LA ROCHE LTD. (CH) | 2015-10-07 | — | — | CN | claimed |
| CN-113072489-A | Preparation method of nitrogen heteroaromatic ring formamide compound | 湖北工业大学 | 2021-07-06 | — | — | CN | disclosed |
| CN-103582629-B | As 5-(phenyl/pyridyl-ethynyl)-2-pyridine/2-pyrimidine-methane amide of MGLUR5 conditioning agent | HOFFMAN-LA ROCHE LTD. (CH) | 2015-10-07 | — | — | CN | disclosed |
| US-6939872-B2 | 2-anilino-pyrimidine derivatives as cyclin dependent kinase inhibitors | ASTRAZENECA AB (SE) | 2005-09-06 | — | — | US | disclosed |