Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.55 |
| ▸ | NPC1 | O15118 | 6/20 | 0.55 |
| ▸ | TP53 | P04637 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | STAT1 | P42224 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL27935977 | 0.83 | HTT (0.58) | SMN1; SMN2NPC1TP53RAB9AMAPT | |
| Urea SCHEMBL27797099 | 0.83 | NPC1 (0.61) | SMN1; SMN2NPC1TP53RAB9AMAPT | |
| Carbamic Acid SCHEMBL27930251 | 0.83 | NPC1 (0.61) | SMN1; SMN2NPC1TP53RAB9AMAPT | |
| SCHEMBL27346732 | 0.80 | ALDH1A1 (0.49) | NPC1MAPTALDH1A1L3MBTL1NPSR1 | |
| Acetic Acid SCHEMBL27760577 | 0.79 | MAPT (0.61) | SMN1; SMN2NPC1TP53RAB9AMAPT | |
| Alcohol SCHEMBL28838282 | 0.79 | CHRNA7 (0.57) | SMN1; SMN2NPC1TP53RAB9AMAPT | |
| Ethylamine SCHEMBL10675607 | 0.78 | CHRNA7 (0.55) | SMN1; SMN2NPC1TP53RAB9AMAPT | |
| Hexane SCHEMBL28857999 | 0.78 | DRD2 (0.56) | SMN1; SMN2NPC1TP53RAB9AMAPT | |
| Oxalic Acid SCHEMBL28160737 | 0.77 | MAPT (0.63) | SMN1; SMN2NPC1TP53RAB9AMAPT | |
| Methylamine SCHEMBL27684541 | 0.77 | ALOX15 (0.56) | SMN1; SMN2NPC1TP53RAB9AMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103224464-B | Cyclohexene analog derivative or its pharmaceutically acceptable salt and uses thereof | Guangzhou Hengnuokang Pharmaceutical Technology Co., Ltd. (CN) | 2016-05-04 | — | — | CN | disclosed |
| CN-103224464-A | Cyclohexene derivative or its pharmaceutically acceptable salt and application thereof | ZHANG JIANCUN | 2013-07-31 | — | — | CN | disclosed |