Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.42 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7793381 | 0.99 | RAB9A (0.54) | RAB9ANPC1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL7790113 | 0.91 | RARB (0.53) | RAB9ANPC1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL7790162 | 0.91 | RAB9A (0.55) | RAB9ANPC1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL7793288 | 0.90 | RARB (0.54) | RAB9ANPC1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL7794081 | 0.86 | CYP2D6 (0.46) | SMN1; SMN2CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7790523 | 0.86 | CYP2D6 (0.46) | SMN1; SMN2CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7794102 | 0.83 | RAB9A (0.59) | RAB9ANPC1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9237506 | 0.82 | RAB9A (0.63) | RAB9ANPC1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9060808 | 0.81 | CHRNA7 (0.46) | RAB9ANPC1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL10501247 | 0.81 | RAB9A (0.61) | RAB9ANPC1SMN1; SMN2KDM4EHSD17B10 |
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-1150937-A1 | LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS | QinetiQ Limited (GB) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000039062-A1 | LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2000-07-06 | — | — | WO | disclosed |