Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 2/20 | 0.30 |
| ▸ | AKT1 | P31749 | 2/20 | 0.30 |
| ▸ | AKT2 | P31751 | 2/20 | 0.30 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.30 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11046338 | 0.85 | CYP19A1 (0.37) | CYP19A1SMN1; SMN2NPC1TP53TSHR | |
| SCHEMBL11046622 | 0.85 | LMNA (0.39) | SMN1; SMN2NPC1TP53TSHRRAB9A | |
| SCHEMBL11046978 | 0.85 | LMNA (0.37) | SMN1; SMN2TP53KMT2AL3MBTL1 | |
| SCHEMBL11043557 | 0.83 | CYP19A1 (0.35) | CYP19A1PRKACAAKT1AKT2AKT3 | |
| SCHEMBL11046127 | 0.81 | CYP3A4 (0.36) | CYP19A1TSHR | |
| SCHEMBL11046890 | 0.79 | CYP19A1 (0.36) | CYP19A1TSHRKMT2APRKACAAKT1 | |
| SCHEMBL11044665 | 0.79 | — | — | |
| SCHEMBL11046297 | 0.77 | CYP19A1 (0.41) | CYP19A1SMN1; SMN2TSHRKMT2AHTT | |
| SCHEMBL11046773 | 0.77 | — | — | |
| SCHEMBL11044695 | 0.75 | GAA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0122452-A1 | Triazolyl- and imidazolyl-substituted fluoroalkane derivatives, process for their preparation and pharmaceutical compositions containing them | SCHERING CORPORATION (US) | 1984-10-24 | — | — | EP | disclosed |