Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 3/20 | 0.37 |
| ▸ | KDR | P35968 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5130564 | 0.88 | BCDIN3D (0.43) | BCDIN3DPDE5ANOS2NPC1GALR3 | |
| SCHEMBL5124067 | 0.86 | BCDIN3D (0.42) | BCDIN3DPDE5ANOS2LMNASMN1; SMN2 | |
| SCHEMBL5123608 | 0.86 | BCDIN3D (0.42) | BCDIN3DPDE5ANOS2FLT1KDR | |
| SCHEMBL5122226 | 0.85 | BCDIN3D (0.39) | BCDIN3DPDE5ANOS2HTTRAB9A | |
| SCHEMBL5129010 | 0.84 | FLT1 (0.43) | BCDIN3DPDE5ANOS2FLT1KDR | |
| SCHEMBL5124186 | 0.83 | SMN1; SMN2 (0.41) | BCDIN3DPDE5ANOS2GALR3LMNA | |
| SCHEMBL7618417 | 0.83 | NOS2 (0.52) | PDE5ANOS2NOS1 | |
| SCHEMBL5124155 | 0.83 | BCDIN3D (0.39) | BCDIN3DPDE5ANOS2NPC1RAB9A | |
| SCHEMBL7619052 | 0.82 | BCDIN3D (0.44) | BCDIN3DPDE5ANOS2NPC1GALR3 | |
| SCHEMBL5122439 | 0.82 | PDE5A (0.39) | BCDIN3DPDE5ANOS2LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6432950-B1 | ANTICANCER AGENTS; KILLING CANCER CELLS | CELL PATHWAYS | 2002-08-13 | — | — | US | disclosed |
| US-6133271-A | Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives | CELL PATHWAYS, INC. (US) | 2000-10-17 | — | — | US | disclosed |