Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PREP | P48147 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30693995 | 0.90 | AGTR2 (0.40) | PDK1PDK2PDK3PDK4AGTR2 | |
| SCHEMBL8701755 | 0.88 | PSEN1 (0.41) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL8701756 | 0.88 | PSEN1 (0.41) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL29560191 | 0.83 | SMN1; SMN2 (0.45) | PDK1PDK2PDK3PDK4PREP | |
| SCHEMBL14420341 | 0.82 | HTR2C (0.41) | PDK1PDK2PDK3PDK4AGTR2 | |
| SCHEMBL30694003 | 0.82 | PSEN1 (0.40) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL29185150 | 0.82 | PSEN1 (0.40) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL78361 | 0.82 | PARP1 (0.43) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL29297141 | 0.81 | PDK1 (0.35) | PDK1PDK2PDK3PDK4AGTR2 | |
| SCHEMBL78404 | 0.81 | PDK1 (0.35) | PDK1PDK2PDK3PDK4AGTR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888344-A1 | SPIROCYCLE INTEGRIN INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| US-5760029-A | TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-02 | — | — | US | disclosed |
| WO-1997033887-A1 | SPIROCYCLE INTEGRIN INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |