Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 8/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | TCF4 | P15884 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10376125 | 0.96 | MAPT (0.46) | EGFRPIM1ELANEMEN1KMT2A | |
| Mitoquidone SCHEMBL93910 | 0.82 | MAOA (0.43) | EGFRPIM1MEN1KMT2AALDH1A1 | |
| SCHEMBL10376512 | 0.81 | ALDH1A1 (0.51) | ELANEMEN1KMT2AALDH1A1MAPT | |
| Mitoquidone SCHEMBL21570575 | 0.78 | MAPT (0.38) | EGFRELANEMEN1KMT2AALDH1A1 | |
| SCHEMBL10376448 | 0.78 | MAOA (0.50) | ELANEMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL10376477 | 0.75 | ALDH1A1 (0.36) | PIM1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL10376475 | 0.75 | MAPT (0.45) | EGFRPIM1MEN1KMT2AALDH1A1 | |
| SCHEMBL8947495 | 0.74 | EGFR (0.73) | EGFRPIM1ELANEMEN1KMT2A | |
| SCHEMBL10334167 | 0.73 | MAPT (0.36) | EGFRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL10376490 | 0.72 | ACHE (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0161102-B1 | ISOQUINOLINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1990-02-21 | — | — | EP | claimed |
| EP-0161102-A2 | Isoquinoline derivatives | GLAXO GROUP LIMITED (GB) | 1985-11-13 | — | — | EP | claimed |
| EP-0161102-B1 | ISOQUINOLINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1990-02-21 | — | — | EP | disclosed |
| US-4835158-A | Isoquinoline derivatives | GLAXO GROUP LIMITED (GB) | 1989-05-30 | — | — | US | disclosed |
| EP-0161102-A2 | Isoquinoline derivatives | GLAXO GROUP LIMITED (GB) | 1985-11-13 | — | — | EP | disclosed |