Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 8/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2763158 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19PARP1 | |
| SCHEMBL2770161 | 0.87 | TSHR (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19PARP1 | |
| SCHEMBL4248218 | 0.85 | GAA (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19PARP1 | |
| SCHEMBL8908855 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19ACHE | |
| SCHEMBL2769605 | 0.79 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19PARP1 | |
| SCHEMBL2763503 | 0.71 | SERPINE1 (0.40) | CYP1A2PARP1 | |
| SCHEMBL14028600 | 0.71 | SERPINE1 (0.40) | CYP1A2PARP1 | |
| SCHEMBL13377604 | 0.71 | SERPINE1 (0.47) | CYP1A2PARP1GAA | |
| SCHEMBL13376141 | 0.71 | SERPINE1 (0.47) | CYP1A2PARP1GAA | |
| SCHEMBL14028594 | 0.71 | SERPINE1 (0.47) | CYP1A2PARP1GAA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1420785-B1 | SUBSTITUTED INDENO [1,2-C]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORP (US) | 2010-04-28 | — | — | EP | disclosed |
| EP-2033645-A1 | Isoquinoline derivatives and methods of use thereof | Inotek Pharmaceuticals Corporation (US) | 2009-03-11 | — | — | EP | disclosed |
| US-20080262016-A1 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2008-10-23 | — | — | US | disclosed |
| US-20080262016-A1 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2008-10-23 | — | — | US | disclosed |
| US-7393955-B2 | Isoquinoline derivatives and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION (US) | 2008-07-01 | — | — | US | disclosed |
| US-7393955-B2 | Isoquinoline derivatives and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION (US) | 2008-07-01 | — | — | US | disclosed |
| US-7268143-B2 | Isoquinoline derivatives and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION (US) | 2007-09-11 | — | — | US | disclosed |
| US-7268143-B2 | Isoquinoline derivatives and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION (US) | 2007-09-11 | — | — | US | disclosed |
| WO-2006009718-A2 | METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE | INOTEK PHARMACEUTICALS CORPORATION (US) | 2006-01-26 | — | — | WO | disclosed |
| WO-2005082368-A1 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2005-09-09 | — | — | WO | disclosed |
| WO-2004078712-A2 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2004-09-16 | — | — | WO | disclosed |
| WO-2003020700-A2 | SUBSTITUTED INDENO[1,2-c]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2003-03-13 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080262016-A1 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | CYP3A7, CYP3A5, ABCG2 | CYP1A2 26/4885CYP3A4 6/4885CYP2C9 86/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.