Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL3363718 | 0.92 | GABRG2 (0.42) | GABRG2GABRB3GABRA2CHRM3F2 | |
| SCHEMBL3365908 | 0.87 | BRD4 (0.44) | HSD17B10KMT2A | |
| SCHEMBL3365035 | 0.81 | TP53 (0.39) | — | |
| SCHEMBL3364407 | 0.81 | HSD17B10 (0.44) | GABRG2GABRB3GABRA2CHRM3ENPP1 | |
| SCHEMBL3368191 | 0.81 | TUBB4A (0.38) | ENPP1HSD17B10PLAUELANEKMT2A | |
| SCHEMBL3362490 | 0.81 | HRH4 (0.40) | HSD17B10ELANE | |
| SCHEMBL28759985 | 0.80 | GABRG2 (0.41) | GABRG2GABRB3GABRA2CHRM3HSD17B10 | |
| SCHEMBL3364363 | 0.80 | HSP90AA1 (0.41) | SCN9A | |
| SCHEMBL3367673 | 0.77 | S1PR4 (0.38) | HSD17B10KMT2AL3MBTL1 | |
| SCHEMBL3365166 | 0.77 | GABRG2 (0.42) | GABRG2GABRB3GABRA2ENPP1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1656353-B1 | GABANERGIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2010-01-27 | — | — | EP | claimed |