Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17625502 | 0.82 | ALDH1A1 (0.36) | ALDH1A1CYP3A4ABCB1SMN1; SMN2HSD17B10 | |
| SCHEMBL17863579 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HSD17B10ACHEPTGS1 | |
| SCHEMBL18665395 | 0.80 | ALDH1A1 (0.34) | ALDH1A1CYP3A4ABCB1HSD17B10ACHE | |
| SCHEMBL5083630 | 0.78 | LMNA (0.48) | TDP1ALDH1A1CYP3A4SMN1; SMN2HSD17B10 | |
| SCHEMBL677823 | 0.77 | CA12 (0.44) | TDP1ALDH1A1CYP3A4SMN1; SMN2HSD17B10 | |
| SCHEMBL16367923 | 0.76 | ALDH1A1 (0.32) | ALDH1A1CYP3A4ABCB1SMN1; SMN2HSD17B10 | |
| SCHEMBL13991709 | 0.76 | LMNA (0.50) | ALDH1A1CYP3A4HSD17B10POLBACHE | |
| SCHEMBL9516729 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CYP3A4HSD17B10POLBPTGS1 | |
| SCHEMBL4186797 | 0.74 | UGT2B7 (0.52) | ALDH1A1CYP3A4CES2CES1TSHR | |
| SCHEMBL9226980 | 0.74 | ALDH1A1 (0.51) | ALDH1A1CYP3A4PTGS1TSHR |
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-3466959-A1 | SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF | Janssen BioPharma, Inc. (US) | 2019-04-10 | — | — | EP | disclosed |