Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM7 | Q14831 | 3/20 | 0.54 |
| ▸ | OXTR | P30559 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.42 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19200911 | 0.84 | GRM7 (0.68) | GRM7OXTRCYP3A4AVPR2AVPR1A | |
| SCHEMBL19200151 | 0.83 | GRM7 (0.70) | GRM7KCNQ2HRH3MTNR1AMTNR1B | |
| SCHEMBL19182878 | 0.82 | GRM7 (0.42) | GRM7OXTRCYP3A4AVPR2AVPR1A | |
| SCHEMBL19183202 | 0.82 | GRM7 (0.42) | GRM7OXTRCYP3A4AVPR2AVPR1A | |
| Hydrochloric Acid SCHEMBL20678733 | 0.81 | GRM7 (0.42) | GRM7OXTRCYP3A4AVPR2AVPR1A | |
| Hydrochloric Acid SCHEMBL20678669 | 0.81 | GRM7 (0.42) | GRM7OXTRCYP3A4AVPR2AVPR1A | |
| SCHEMBL20678677 | 0.80 | GRM7 (0.41) | GRM7OXTRCYP3A4AVPR2AVPR1A | |
| SCHEMBL19183414 | 0.76 | KDM4D (0.39) | GRM7OXTRCYP3A4AVPR2AVPR1A | |
| SCHEMBL19200419 | 0.76 | KDM4D (0.39) | GRM7OXTRCYP3A4AVPR2AVPR1A | |
| SCHEMBL16963923 | 0.72 | CES2 (0.46) | PKM |
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-2017131221-A1 | INDANE DERIVATIVES AS MGLUR7 MODULATORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-08-03 | — | — | WO | disclosed |