Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 4/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL21865957 | 0.86 | AKR1B1 (0.53) | TDP1AKR1B1SRCALDH1A1BACE1 | |
| SCHEMBL21865745 | 0.81 | TDP1 (0.34) | TDP1AKR1B1SRCCYP3A4ALDH1A1 | |
| SCHEMBL21865871 | 0.76 | TDP1 (0.38) | TDP1ERN1KMT2AMEN1ALDH1A1 | |
| SCHEMBL21865981 | 0.71 | — | — | |
| SCHEMBL11243678 | 0.70 | AKR1B1 (0.68) | AKR1B1ADRA2AKMT2AMEN1LMNA | |
| SCHEMBL1312057 | 0.69 | TDP1 (0.50) | TDP1ERN1KMT2AMEN1LMNA | |
| SCHEMBL1922418 | 0.69 | ERN1 (0.47) | TDP1ERN1KMT2AMEN1LMNA | |
| SCHEMBL3842233 | 0.69 | TDP1 (0.45) | TDP1ERN1KMT2AMEN1LMNA | |
| SCHEMBL10413565 | 0.68 | TDP1 (0.52) | TDP1ERN1KMT2AMEN1LMNA | |
| SCHEMBL8562267 | 0.68 | DPP4 (0.50) | TDP1ERN1HSD17B10ALDH1A1NSD2 |
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-3636643-A1 | NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES | AbbVie Inc. (US) | 2020-04-15 | — | — | EP | disclosed |