Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9831559 | 0.81 | KDR (0.49) | GAAKDM4EKDRHTTMAPT | |
| Water SCHEMBL10786992 | 0.81 | KDR (0.48) | GAAKDM4EKDRHTTMAPT | |
| Water SCHEMBL10786986 | 0.81 | KDR (0.48) | GAAKDM4EKDRHTTMAPT | |
| SCHEMBL7445322 | 0.79 | ALDH1A1 (0.47) | GAAKDM4EL3MBTL1MEN1KMT2A | |
| Water SCHEMBL9830187 | 0.77 | ALDH1A1 (0.46) | GAAKDM4EL3MBTL1MEN1KMT2A | |
| Water SCHEMBL9830179 | 0.77 | ALDH1A1 (0.46) | GAAKDM4EL3MBTL1MEN1KMT2A | |
| SCHEMBL9831668 | 0.77 | KMT2A (0.40) | GAAKDM4EMEN1KMT2APOLB | |
| SCHEMBL9831858 | 0.77 | CA12 (0.50) | GAAKDM4EMEN1KMT2APOLB | |
| SCHEMBL9832514 | 0.75 | KDM4E (0.42) | GAAKDM4ERXFP1MEN1KMT2A | |
| SCHEMBL9832471 | 0.74 | MGLL (0.46) | POLBKDRMAPTSMN1; SMN2NPC1 |
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-0252721-B1 | 4-NITROGEN SUBSTITUTED ISOQUINOLINOL COMPOUNDS HAVING CARDIOTONIC, PHOSPHODIESTERASE FRACTION III INHIBITING PROPERTIES AND/OR RENAL VASODILATING PROPERTIES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1991-10-02 | — | — | EP | claimed |
| US-4714705-A | 4-nitrogen substituted isoquinolinol compounds having cardiotonic, phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1987-12-22 | — | — | US | claimed |
| EP-0252721-B1 | 4-NITROGEN SUBSTITUTED ISOQUINOLINOL COMPOUNDS HAVING CARDIOTONIC, PHOSPHODIESTERASE FRACTION III INHIBITING PROPERTIES AND/OR RENAL VASODILATING PROPERTIES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1991-10-02 | — | — | EP | disclosed |