Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL8220982 | 0.81 | SIGMAR1 (0.50) | POLBKMT2AMEN1SIGMAR1CYP2C19 | |
| SCHEMBL18082667 | 0.78 | MEN1 (0.52) | POLBTSHRCES2CES1AKR1B1 | |
| SCHEMBL14368867 | 0.78 | TSHR (0.50) | POLBTSHRCES2CES1AKR1B1 | |
| SCHEMBL10988462 | 0.78 | TSHR (0.50) | POLBTSHRCES2CES1AKR1B1 | |
| SCHEMBL1991963 | 0.76 | POLB (0.50) | POLBTSHRCES2CES1AKR1B1 | |
| SCHEMBL834974 | 0.76 | POLB (0.50) | POLBTSHRCES2CES1AKR1B1 | |
| SCHEMBL4473658 | 0.76 | POLB (0.50) | POLBTSHRCES2CES1AKR1B1 | |
| SCHEMBL331007 | 0.73 | TSHR (0.57) | POLBTSHRCES2CES1AKR1B1 | |
| SCHEMBL7153908 | 0.72 | TSHR (0.52) | POLBTSHRCES2CES1AKR1B1 | |
| Butanone SCHEMBL8113506 | 0.71 | TSHR (0.47) | POLBTSHRCES2CES1AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2910644-A1 | Method for the diagnosis of neuronal ceroid lipofuscinoses | Steinbeis-Transferzentrum für Biopolymeranalytik und Biomolekül-Massenspektrometrie (DE) | 2015-08-26 | — | — | EP | disclosed |