Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL23048506 | 0.80 | ACHE (0.46) | ACHEALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL28492107 | 0.80 | ACHE (0.46) | ACHEALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL20902674 | 0.78 | PTPN5 (0.37) | CYP1A2CYP3A4MAPTCYP2C9CYP2C19 | |
| SCHEMBL20048798 | 0.76 | TSHR (0.42) | ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19222192 | 0.76 | MAOA (0.46) | ALDH1A1MAPK1MAPTNPSR1DDB1 | |
| SCHEMBL29468620 | 0.75 | ACHE (0.58) | ACHEALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL29468631 | 0.75 | ACHE (0.58) | ACHEALDH1A1MAPK1MAPTHTT | |
| SCHEMBL576105 | 0.75 | ACHE (0.58) | ACHEALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL575896 | 0.75 | ACHE (0.58) | ACHEALDH1A1MAPK1MAPTHTT | |
| SCHEMBL29543680 | 0.75 | ACHE (0.58) | ACHEALDH1A1MAPK1MAPTHTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2772480-B2 | HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2020-12-09 | — | — | EP | disclosed |
| EP-3204360-B1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH INC (US) | 2020-08-26 | — | — | EP | disclosed |
| EP-2772480-B1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2018-05-23 | — | — | EP | disclosed |
| CN-1026206-C | Arylpyrrole insecticidal acaricidal and nematicidal agents and method for preparation thereof | AMERICAN CYANAMID CO (US) | 1994-10-19 | — | — | CN | disclosed |
| CN-1039807-A | Desinsection, kill mite, nematocides aryl-pyrrolidine and preparation method thereof | AMERICAN CYANAMID CO (US) | 1990-02-21 | — | — | CN | disclosed |