Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.50 |
| ▸ | TUBB | P07437 | 2/20 | 0.50 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.50 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.50 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.50 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.50 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.50 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.50 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.50 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9542245 | 0.83 | PTGS2 (0.50) | MEN1KMT2AGAAAOC3HTR2A | |
| SCHEMBL27590675 | 0.82 | CYP3A4 (0.53) | KDM4EALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL16316823 | 0.78 | CYP3A4 (0.52) | KDM4EALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL28901341 | 0.78 | L3MBTL1 (0.57) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14276933 | 0.77 | CYP3A4 (0.66) | KDM4EALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL8233892 | 0.77 | TRPV1 (0.46) | KDM4EALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL27591000 | 0.76 | KMT2A (0.49) | ALDH1A1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL27590699 | 0.76 | CYP3A4 (0.52) | KDM4EALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL8593264 | 0.75 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AMAPTGAA | |
| SCHEMBL7436339 | 0.75 | TUBB4A (0.76) | KDM4EMEN1KMT2ACYP3A4CYP1A2 |
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-0010119-A1 | Isoquinoline derivatives, their preparation and pharmaceutical compositions containing these compounds | THE MASSACHUSETTS GENERAL HOSPITAL (US) | 1980-04-30 | — | — | EP | disclosed |