Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3212394 | 1.00 | ALDH1A1 (0.42) | ALDH1A1USP2ALOX15SMN1; SMN2GAA | |
| SCHEMBL3212398 | 1.00 | ALDH1A1 (0.42) | ALDH1A1USP2ALOX15SMN1; SMN2GAA | |
| SCHEMBL19359215 | 0.91 | ALDH1A1 (0.34) | ALDH1A1USP2ALOX15SMN1; SMN2KDM4E | |
| SCHEMBL25417100 | 0.76 | CTSK (0.36) | ALDH1A1USP2ALOX15SMN1; SMN2KDM4E | |
| SCHEMBL5433245 | 0.75 | EPHX1 (0.44) | ALDH1A1SMN1; SMN2GAAKDM4EMMP2 | |
| SCHEMBL5433253 | 0.75 | EPHX1 (0.44) | ALDH1A1SMN1; SMN2GAAKDM4EMMP2 | |
| SCHEMBL5433248 | 0.75 | EPHX1 (0.44) | ALDH1A1SMN1; SMN2GAAKDM4EMMP2 | |
| SCHEMBL17504487 | 0.75 | EPHX1 (0.44) | ALDH1A1SMN1; SMN2GAAKDM4EMMP2 | |
| SCHEMBL21221593 | 0.74 | TRPV1 (0.52) | CYP2D6 | |
| SCHEMBL897214 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8710077-B2 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | SANOFI (FR) | 2014-04-29 | — | — | US | disclosed |
| EP-2102164-B1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | SANOFI AVENTIS (FR) | 2010-12-01 | — | — | EP | disclosed |
| US-20100056553-A1 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | SANOFI-AVENTIS (FR) | 2010-03-04 | — | — | US | disclosed |
| EP-2102164-A1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | Sanofi-Aventis (FR) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008077556-A1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2008-07-03 | — | — | 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-20100056553-A1 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | MYLK2, MYLK, MYLK3 | ALDH1A1 3048/4885USP2 3261/4885ALOX15 3954/4885 |
“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.