Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GUCY1B2 | O75343 | 7/20 | 0.34 |
| ▸ | GUCY1A2 | P33402 | 7/20 | 0.34 |
| ▸ | GUCY1A1 | Q02108 | 7/20 | 0.34 |
| ▸ | GUCY1B1 | Q02153 | 7/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.32 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2170163 | 0.76 | ACKR3 (0.34) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2 | |
| SCHEMBL27872107 | 0.70 | MAOB (0.50) | ALDH1A1KDM4EPOLBKMT2AANO1 | |
| SCHEMBL27839932 | 0.68 | CASP3 (0.48) | CYP1A2ALDH1A1CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL27554661 | 0.67 | ALDH1A1 (0.40) | CYP1A2ALDH1A1HPGDCYP3A4CYP2C19 | |
| SCHEMBL27689604 | 0.67 | ALDH1A1 (0.51) | ALDH1A1KDM4ESMN1; SMN2POLBKMT2A | |
| SCHEMBL28131287 | 0.66 | ALDH1A1 (0.44) | CYP1A2ALDH1A1CYP3A4CYP2C19KDM4E | |
| SCHEMBL27574459 | 0.66 | L3MBTL1 (0.49) | CYP1A2ALDH1A1HPGDCYP3A4CYP2C19 | |
| SCHEMBL27571702 | 0.66 | IDO1 (0.44) | CYP1A2ALDH1A1CYP3A4CYP2C19KMT2A | |
| SCHEMBL9080721 | 0.65 | KMT2A (0.46) | CYP1A2HPGDCYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL12303148 | 0.65 | EPHX1 (0.56) | ALDH1A1HPGDSMN1; SMN2KMT2ASSTR4 |
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-2351748-A1 | ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT | Kyorin Pharmaceutical Co., Ltd. (JP) | 2011-08-03 | — | — | EP | disclosed |