Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17069069 | 0.77 | XDH (0.39) | CA1CA2ALDH1A1KDM4EHTT | |
| SCHEMBL21725642 | 0.73 | HTR2A (0.36) | CA1CA2ALDH1A1KDM4EHTT | |
| SCHEMBL15970880 | 0.72 | CA1 (0.39) | CA1CA2ALDH1A1KDM4EHTT | |
| SCHEMBL28018765 | 0.69 | ADRA2A (0.39) | CA1CA2ALDH1A1TSHRMEN1 | |
| SCHEMBL2476855 | 0.68 | GRM2 (0.38) | HTTTSHRMEN1KMT2AAR | |
| SCHEMBL22871225 | 0.68 | HTR2A (0.42) | CA1CA2ALDH1A1KDM4EHTT | |
| SCHEMBL2872955 | 0.68 | KMT2A (0.51) | CA1CA2ALDH1A1KDM4EHTT | |
| SCHEMBL15971080 | 0.67 | GAA (0.40) | CA1CA2ALDH1A1KDM4ETSHR | |
| SCHEMBL9260822 | 0.66 | BIRC5 (0.33) | CA1CA2APPCYP19A1 | |
| SCHEMBL29973162 | 0.65 | CA1 (0.50) | CA1CA2ALDH1A1KDM4EHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1105135-A4 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1105135-A1 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-06-13 | — | — | EP | disclosed |
| WO-2000076521-A1 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |