Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.37 |
| ▸ | TUBB | P07437 | 2/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.37 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.37 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.37 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.37 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11708730 | 0.90 | BRD4 (0.46) | ALDH1A1KDM4EHPGDBRD4MAPT | |
| SCHEMBL4121479 | 0.87 | KDM4E (0.51) | ALDH1A1KDM4EHPGDBRD4MAPT | |
| SCHEMBL4132763 | 0.83 | KDM4E (0.51) | ALDH1A1KDM4EHPGDBRD4MAPT | |
| SCHEMBL4123012 | 0.83 | KDM4E (0.51) | ALDH1A1KDM4EHPGDBRD4MAPT | |
| SCHEMBL7998453 | 0.80 | KDM4E (0.54) | ALDH1A1KDM4EHPGDBRD4MAPT | |
| SCHEMBL6113256 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDBRD4MAPT | |
| SCHEMBL11957286 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDBRD4MAPT | |
| SCHEMBL611321 | 0.77 | ALDH1A1 (0.81) | ALDH1A1KDM4EHPGDBRD4MAPT | |
| SCHEMBL6113045 | 0.76 | KDM4E (0.64) | ALDH1A1KDM4EHPGDMAPTTUBB4A | |
| SCHEMBL11708180 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDBRD4MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0941112-B1 | METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS | VERTEX PHARMA (US) | 2003-02-12 | — | — | EP | disclosed |
| EP-0839143-B1 | TETRALIN COMPOUNDS WITH MDR ACTIVITY | VERTEX PHARMA (US) | 2002-08-07 | — | — | EP | disclosed |
| US-5811434-A | ADMINISTERING A COMPOSITION COMPRISING A NEUROTROPHIC AMOUNT OF A COMPOUND AND A NEUROTROPHIC FACTOR, SUCH AS NERVE GROWTH FACTOR | VERTEX PHARMACUETICALS INCORPORATED (US) | 1998-09-22 | — | — | US | disclosed |
| US-5726184-A | TREATMENT OF MULTI-DRUG RESISTANT CELLS TO RESTORE SENSITIVITY TO THERAPEUTIC OR PROPHYLACTIC AGENTS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1998-03-10 | — | — | US | disclosed |