Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.74 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | UNG | P13051 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL9236967 | 0.86 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TRPA1LMNAALOX5 | |
| Benzaldehyde SCHEMBL573 | 0.86 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TRPA1LMNAALOX5 | |
| Benzaldehyde SCHEMBL10051945 | 0.86 | — | — | |
| Benzaldehyde SCHEMBL1330097 | 0.86 | — | — | |
| Benzaldehyde SCHEMBL6061133 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TRPA1LMNAALOX5 | |
| Fluorobenzene SCHEMBL6142825 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CYP2A6NFE2L2MAPK1KMT2A | |
| Benzaldehyde SCHEMBL11043269 | 0.83 | — | — | |
| Benzaldehyde SCHEMBL1505090 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3180086-A1 | LIGANDS FOR ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AND METHODS OF TREATING NEUROLOGICAL AND INFLAMMATORY CONDITIONS | Northeastern University (US) | 2017-06-21 | — | — | EP | disclosed |
| WO-2016014847-A1 | LIGANDS FOR ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AND METHODS OF TREATING NEUROLOGICAL AND INFLAMMATORY CONDITIONS | NORTHEASTERN UNIVERSITY (US) | 2016-01-28 | — | — | WO | disclosed |