Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1572345 | 0.81 | CES2 (0.46) | ALDH1A1RAB9ANPC1CES2CES1 | |
| SCHEMBL64141 | 0.80 | — | — | |
| SCHEMBL11575272 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TRPA1KDM4EPTGS2ALOX5 | |
| SCHEMBL2500374 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TRPA1KDM4EPTGS2ALOX5 | |
| Toluene SCHEMBL11029161 | 0.78 | ALDH1A1 (0.74) | ALDH1A1TRPA1KDM4ECES2CES1 | |
| Hydrochloric Acid SCHEMBL7078680 | 0.77 | ALDH1A1 (0.93) | ALDH1A1TRPA1KDM4EPTGS2ALOX5 | |
| Methane SCHEMBL6578174 | 0.77 | ALDH1A1 (0.93) | ALDH1A1TRPA1KDM4EPTGS2ALOX5 | |
| SCHEMBL10895566 | 0.77 | ALDH1A1 (0.93) | ALDH1A1TRPA1KDM4EPTGS2ALOX5 | |
| Bromide SCHEMBL30923434 | 0.77 | ALDH1A1 (0.93) | ALDH1A1TRPA1KDM4EPTGS2ALOX5 | |
| SCHEMBL11411128 | 0.77 | ALDH1A1 (0.93) | ALDH1A1TRPA1KDM4EPTGS2ALOX5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4816454-A | CARDIOVASCULAR DISORDERS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1989-03-28 | — | — | US | disclosed |