Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | ITK | Q08881 | 3/20 | 0.50 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.47 |
| ▸ | TUBB | P07437 | 1/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.47 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.47 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.47 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.47 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.47 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.47 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.47 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.47 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2045033 | 0.80 | RAB9A (0.53) | RAB9ANPC1ITKTUBB4ATUBB | |
| SCHEMBL31555117 | 0.80 | RAB9A (0.53) | RAB9ANPC1ITKTUBB4ATUBB | |
| SCHEMBL374022 | 0.76 | RAB9A (0.74) | RAB9ANPC1ITKKDM4EMAPT | |
| SCHEMBL29631691 | 0.76 | RAB9A (0.74) | RAB9ANPC1ITKKDM4EMAPT | |
| SCHEMBL11363931 | 0.75 | KDR (0.63) | RAB9ANPC1ITKKDM4EMAPT | |
| SCHEMBL10176240 | 0.73 | KDR (0.61) | RAB9ANPC1ITKKDM4EMAPT | |
| 2-Phenyl-1H-Indole SCHEMBL18059783 | 0.73 | NPC1 (0.81) | RAB9ANPC1ITKTUBB4ATUBB | |
| SCHEMBL2476987 | 0.71 | CHEK1 (0.54) | RAB9ANPC1ITKKDM4EMAPT | |
| SCHEMBL13650110 | 0.71 | ITK (0.58) | RAB9ANPC1ITKTUBB4ATUBB | |
| SCHEMBL646937 | 0.71 | RAB9A (0.47) | RAB9ANPC1ITKTUBB4ATUBB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2760446-A1 | SMAC MIMETIC (BIRINAPANT) FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES (CANCER) | TETRALOGIC PHARMACEUTICALS CORPORATION (US) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013049350-A1 | SMAC MIMETIC (BIRINAPANT) FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES (CANCER) | TETRALOGIC PHARMACEUTICALS CORPORATION (US) | 2013-04-04 | — | — | WO | disclosed |