Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL14009260 | 0.77 | GRIA2 (0.51) | S100A4TRPV1ERN1PKMMAPK1 | |
| SCHEMBL11876737 | 0.77 | PLAU (0.60) | S100A4TRPV1ERN1PKMMAPK1 | |
| SCHEMBL29190927 | 0.77 | ALDH1A1 (0.46) | S100A4TRPV1ERN1ABCB1ABCC1 | |
| SCHEMBL1561802 | 0.76 | TSHR (0.56) | S100A4TRPV1ERN1PKMMAPK1 | |
| SCHEMBL4228733 | 0.75 | S100A4 (0.49) | S100A4TRPV1ERN1ABCB1ABCC1 | |
| SCHEMBL29395434 | 0.74 | S100A4 (0.56) | S100A4TRPV1ERN1ABCB1ABCC1 | |
| SCHEMBL24508 | 0.74 | S100A4 (0.56) | S100A4TRPV1ERN1ABCB1ABCC1 | |
| SCHEMBL204357 | 0.74 | S100A4 (0.61) | S100A4TRPV1ERN1PKMMAPK1 | |
| SCHEMBL31272228 | 0.74 | S100A4 (0.42) | S100A4TRPV1ERN1PKMMAPK1 | |
| SCHEMBL27875767 | 0.73 | S100A4 (0.47) | S100A4TRPV1ERN1ABCB1ABCC1 |
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-1954698-B1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO INC (US) | 2009-06-24 | — | — | EP | disclosed |