Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.58 |
| ▸ | CASP6 | P55212 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | XDH | P47989 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | HCAR3 | P49019 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29433264 | 0.94 | XDH (0.61) | TPMTVCAM1CA12CA1CA2 | |
| SCHEMBL223930 | 0.94 | XDH (0.61) | TPMTVCAM1CA12CA1CA2 | |
| SCHEMBL459609 | 0.87 | CASP6 (0.72) | TPMTCASP6TSHRCA12CA1 | |
| SCHEMBL31011353 | 0.87 | CASP6 (0.72) | TPMTCASP6TSHRCA12CA1 | |
| SCHEMBL2797670 | 0.85 | MAPT (0.51) | TPMTVCAM1CA12CA1CA2 | |
| SCHEMBL1353346 | 0.82 | VCAM1 (0.57) | CASP6TSHRVCAM1HCAR3LMNA | |
| SCHEMBL2722165 | 0.82 | CASP6 (0.60) | CASP6TSHRVCAM1HCAR3MAPT | |
| SCHEMBL31548461 | 0.82 | CASP6 (0.60) | CASP6TSHRVCAM1HCAR3MAPT | |
| SCHEMBL531728 | 0.81 | VCAM1 (0.64) | TPMTTSHRVCAM1CA12CA1 | |
| SCHEMBL5734347 | 0.81 | VCAM1 (0.68) | CASP6VCAM1MAPTLMNAMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2393782-A1 | BENZOIC ACID (1-PHENYL-2-PYRIDIN-4-YL) ETHYL ESTERS AS PHOSPHODIESTERASE INHIBITORS | Chiesi Farmaceutici S.p.A. (IT) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010089107-A1 | BENZOIC ACID (1-PHENYL-2-PYRIDIN-4-YL) ETHYL ESTERS AS PHOSPHODIESTERASE INHIBITORS | CHIESI FARMACEUTICI S.P.A. (IT) | 2010-08-12 | — | — | WO | disclosed |