Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7737076 | 0.76 | CES2 (0.43) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL4823768 | 0.76 | CES2 (0.43) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL18660610 | 0.75 | MAPT (0.36) | KMT2AMAOAMAOBAKT1 | |
| SCHEMBL6130072 | 0.74 | CES2 (0.44) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL7737204 | 0.73 | CES2 (0.40) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL7737201 | 0.73 | CES2 (0.40) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL2146350 | 0.72 | CES2 (0.43) | CES2CES1AKR1B1MAOAMAOB | |
| SCHEMBL29028265 | 0.72 | CES2 (0.43) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL3851045 | 0.71 | CYP3A4 (0.53) | CES2CES1AKR1B1 | |
| SCHEMBL18616874 | 0.69 | CYP2C9 (0.31) | CES2CES1AKR1B1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018045071-A1 | INHIBITORS OF CELLULAR METABOLIC PROCESSES | AGIOS PHARMACEUTICALS, INC. (US) | 2018-03-08 | — | — | WO | disclosed |