Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17653961 | 0.81 | AR (0.47) | ARCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL20786906 | 0.80 | PRMT5 (0.46) | ARSRD5A1 | |
| SCHEMBL12509817 | 0.79 | HSD17B3 (0.55) | ARCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL28191441 | 0.78 | HDAC1 (0.46) | ARCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL21469180 | 0.76 | ALDH1A1 (0.47) | ARCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL21936456 | 0.75 | AR (0.42) | ARHTR2AHTR2CHTR2BS1PR1 | |
| SCHEMBL20985799 | 0.75 | CARM1 (0.55) | ABHD6HSD17B3MAPTCARM1 | |
| SCHEMBL30575085 | 0.74 | ABHD6 (0.52) | ABHD6TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL21577668 | 0.73 | CYP1A2 (0.47) | ARCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL23529776 | 0.73 | CYP1A2 (0.43) | ARCYP1A2CYP3A4CYP2D6NFKB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015049667-A1 | NOVEL COMPOUND AS A DIACYLGLYCEROL ACYLTRANSFERASE INHIBITOR | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2015-04-09 | — | — | WO | disclosed |
| WO-2015049667-A1 | NOVEL COMPOUND AS A DIACYLGLYCEROL ACYLTRANSFERASE INHIBITOR | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2015-04-09 | — | — | WO | disclosed |