Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ROS1 | P08922 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3720423 | 0.81 | ALDH1A1 (0.45) | DHFRHDAC6ALDH1A1MAPTKMT2A | |
| SCHEMBL3717729 | 0.74 | HDAC6 (0.40) | DHFRHDAC6TRPV1ALDH1A1MAPT | |
| SCHEMBL3721720 | 0.68 | GPBAR1 (0.54) | ROS1KMT2AMEN1GPBAR1CYP19A1 | |
| SCHEMBL21187476 | 0.67 | HSD11B1 (0.43) | CYP17A1CYP1A2ROS1 | |
| SCHEMBL3714728 | 0.66 | GPBAR1 (0.54) | GPBAR1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL21187438 | 0.66 | HSD11B1 (0.42) | CYP17A1CYP1A2ROS1 | |
| SCHEMBL3716494 | 0.65 | GPBAR1 (0.57) | GPBAR1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3713000 | 0.64 | GPBAR1 (0.45) | KMT2AMEN1GPBAR1CYP19A1CYP11B1 | |
| SCHEMBL11142216 | 0.64 | ALDH1A1 (0.53) | DHFRCYP1A2HDAC6TRPV1ALDH1A1 | |
| SCHEMBL24522617 | 0.63 | HDAC6 (0.73) | HDAC6TRPV1ALDH1A1MAPTSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | claimed |
| WO-2014133414-A2 | HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF | АЛЛА ХЕМ ЛЛС (US) | 2014-09-04 | — | — | WO | disclosed |
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | disclosed |