Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.64 |
| ▸ | CES2 | O00748 | 1/20 | 0.64 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | FNTA | P49354 | 1/20 | 0.52 |
| ▸ | FNTB | P49356 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | PAM | P19021 | 2/20 | 0.48 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL77563 | 0.95 | CES1 (0.70) | CES1CES2AKR1B1L3MBTL1TDP1 | |
| Hydrochloric Acid SCHEMBL27690655 | 0.92 | CES1 (0.67) | CES1CES2AKR1B1L3MBTL1TDP1 | |
| SCHEMBL9693670 | 0.92 | CES1 (0.67) | CES1CES2AKR1B1L3MBTL1TDP1 | |
| Alcohol SCHEMBL10996109 | 0.90 | CES1 (0.58) | CES1CES2AKR1B1L3MBTL1TDP1 | |
| Propionic Acid SCHEMBL28008519 | 0.88 | AKR1B1 (0.62) | CES1CES2AKR1B1L3MBTL1TDP1 | |
| Ethylene Glycol SCHEMBL28363278 | 0.87 | CES1 (0.61) | CES1CES2AKR1B1L3MBTL1TDP1 | |
| SCHEMBL6512327 | 0.87 | CES1 (0.61) | CES1CES2AKR1B1L3MBTL1TDP1 | |
| SCHEMBL11219229 | 0.86 | L3MBTL1 (0.76) | CES1CES2AKR1B1L3MBTL1TDP1 | |
| SCHEMBL43241 | 0.85 | CES1 (0.58) | CES1CES2AKR1B1L3MBTL1TDP1 | |
| Benzene SCHEMBL27614820 | 0.85 | CES1 (0.58) | CES1CES2AKR1B1L3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4437873-A | WITH ALPHA SUBSTITUTED DIAMINES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1984-03-20 | — | — | US | disclosed |
| US-4399151-A | USING A-SUBSTITUTERD AMINES OR A-SUBSTITUTED AMINO ACIDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1983-08-16 | — | — | US | disclosed |
| US-4336054-A | AMINO ACIDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-4134918-A | ENZYME INHIBITORS, ANTIBODY INHIBITORS | MERRELL TORAUDE ET COMPAGNIE (FR) | 1979-01-16 | — | — | US | disclosed |