Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28188524 | 0.77 | TSHR (0.46) | SMN1; SMN2NPC1LMNARAB9AMEN1 | |
| P-Cymene SCHEMBL4860410 | 0.76 | ACHE (0.50) | LMNAHTT | |
| P-Cymene SCHEMBL3684076 | 0.76 | ACHE (0.50) | LMNAHTT | |
| Toluene SCHEMBL5492947 | 0.76 | TSHR (0.44) | SMN1; SMN2NPC1LMNARAB9AMEN1 | |
| P-Cymene SCHEMBL29006180 | 0.76 | ACHE (0.50) | LMNAHTT | |
| P-Cymene SCHEMBL7880006 | 0.75 | CHRM2 (0.39) | EPHX1EPHX2SMN1; SMN2NPSR1NPC1 | |
| Toluene SCHEMBL899669 | 0.75 | TSHR (0.48) | SMN1; SMN2NPC1LMNARAB9AMEN1 | |
| SCHEMBL16694169 | 0.74 | ROCK2 (0.52) | EPHX1EPHX2SMN1; SMN2NPSR1NPC1 | |
| P-Cymene SCHEMBL6274941 | 0.73 | ACHE (0.47) | LMNAHTT | |
| P-Cymene SCHEMBL30626114 | 0.73 | ACHE (0.47) | LMNAHTT |
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-117069717-A | 2, 6-naphthyridine micromolecule derivative and preparation method thereof | 江汉大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-108290810-A | METHOD FOR PRODUCING DIOL | 大金工业株式会社 | 2018-07-17 | — | — | CN | disclosed |
| CN-102414162-B | Process for the preparation of vinyl esters from acetylene and carboxylic acids using homogeneous catalysts | CELANESE INTERNATIONAL CORP. (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-102414162-A | Process for the preparation of vinyl esters from acetylene and carboxylic acids using homogeneous catalysts | CELANESE INT CORP | 2012-04-11 | — | — | CN | disclosed |