Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL29168790 | 0.81 | CYP3A4 (0.47) | CYP3A4KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL1162659 | 0.81 | ALDH1A1 (0.48) | CYP3A4KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL21101912 | 0.80 | TACR1 (0.35) | RXRARXRBRXRGPOLBCYP1A2 | |
| SCHEMBL4670746 | 0.76 | RXRA (0.70) | RXRARXRBRXRGKDM4EMEN1 | |
| SCHEMBL17089023 | 0.75 | ALDH1A1 (0.55) | RXRARXRBRXRGCYP3A4ALDH1A1 | |
| SCHEMBL15478104 | 0.75 | CYP3A4 (0.42) | CYP3A4KDM4EPOLBMAPTNPC1 | |
| SCHEMBL21101918 | 0.74 | TACR1 (0.37) | RXRARXRBRXRGCYP3A4POLB | |
| SCHEMBL7794784 | 0.74 | RXRA (0.52) | RXRARXRBRXRGKDM4EALDH1A1 | |
| SCHEMBL21102124 | 0.74 | RXRA (0.38) | RXRARXRBRXRGKDM4EMEN1 | |
| SCHEMBL21102126 | 0.73 | MARS1 (0.43) | CYP3A4KDM4EMEN1KMT2AALDH1A1 |
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-2019111225-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS | AVALIV THERAPEUTICS (US) | 2019-06-13 | — | — | WO | disclosed |