Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6503361 | 0.91 | CALM1 (0.41) | CES2CES1ALDH1A1HPGDALOX15 | |
| SCHEMBL11244110 | 0.88 | CES2 (0.35) | CES2CES1ALDH1A1HPGDALOX15 | |
| SCHEMBL340372 | 0.81 | CALM1 (0.45) | CES2CES1ALDH1A1HPGDALOX15 | |
| Benzene SCHEMBL11030926 | 0.81 | CALM1 (0.45) | CES2CES1ALDH1A1HPGDALOX15 | |
| SCHEMBL11287304 | 0.81 | ALDH1A1 (0.44) | CES2CES1ALDH1A1HPGDALOX15 | |
| SCHEMBL11583723 | 0.78 | HTR2A (0.44) | CES2CES1CALM1IDO1LOXL2 | |
| SCHEMBL10729584 | 0.78 | TDP1 (0.44) | CES2CES1ALDH1A1HPGDCALM1 | |
| SCHEMBL5320699 | 0.78 | TP53 (0.42) | CES2CES1ALDH1A1CALM1TSHR | |
| SCHEMBL9325266 | 0.78 | KEAP1 (0.50) | CES2CES1ALDH1A1AKR1B1SLC6A3 | |
| Hydrochloric Acid SCHEMBL11579309 | 0.77 | HTR2A (0.43) | HPGDCALM1IDO1LOXL2SLC6A2 |
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-4327100-A | USEFUL AS HYPERTENSIVE AND CARDIOTONIC AGENTS | BOEHRINGER INGELHEIM GMBH (DE) | 1982-04-27 | — | — | US | disclosed |