Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PRKDC | P78527 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GALR3 | O60755 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18622104 | 0.91 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL397099 | 0.90 | LMNA (0.47) | ALDH1A1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL16722820 | 0.86 | ALDH1A1 (0.53) | ALDH1A1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL395626 | 0.85 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL17374962 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL17374950 | 0.81 | ALDH1A1 (0.51) | ALDH1A1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL17374955 | 0.81 | ALDH1A1 (0.51) | ALDH1A1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL20219271 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL23805490 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL395029 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRCYP3A4ALOX15 |
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-3216787-B1 | INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2020-02-19 | — | — | EP | disclosed |