Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | WDR5 | P61964 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29017033 | 0.86 | S1PR3 (0.57) | S1PR3TSHRHSD17B10LMNAMAPK1 | |
| SCHEMBL2574654 | 0.86 | S1PR3 (0.57) | S1PR3TSHRHSD17B10LMNAMAPK1 | |
| SCHEMBL30823666 | 0.85 | S1PR3 (0.56) | S1PR3TSHRHSD17B10LMNAMAPK1 | |
| SCHEMBL4268302 | 0.85 | S1PR3 (0.56) | S1PR3TSHRHSD17B10LMNAMAPK1 | |
| SCHEMBL131628 | 0.83 | GAA (0.65) | TSHRMAPK1CA2GAACA12 | |
| SCHEMBL3873090 | 0.82 | MAPK1 (0.56) | S1PR3TSHRHSD17B10LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL10988216 | 0.81 | GAA (0.63) | TSHRMAPK1CA2GAACA12 | |
| SCHEMBL13728164 | 0.81 | CA1 (0.56) | TSHRLMNACA2GAACA12 | |
| SCHEMBL8193976 | 0.80 | CA2 (0.59) | TSHRLMNACA2GAACA12 | |
| SCHEMBL7433558 | 0.79 | S1PR3 (0.53) | S1PR3LMNAMAPK1RAB9AGAA |
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-1656361-B1 | PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |