Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.55 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7790491 | 1.00 | CYP3A4 (0.55) | CYP3A4ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL7793413 | 0.99 | CYP3A4 (0.52) | CYP3A4ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL7784549 | 0.99 | CYP3A4 (0.52) | CYP3A4ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL19197282 | 0.96 | ALDH1A1 (0.58) | CYP3A4ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL6652134 | 0.91 | ALDH1A1 (0.57) | CYP3A4ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL6650023 | 0.91 | ALDH1A1 (0.57) | CYP3A4ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL7790523 | 0.90 | CYP2D6 (0.46) | CYP3A4ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL7794081 | 0.90 | CYP2D6 (0.46) | CYP3A4ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL20151741 | 0.90 | LMNA (0.50) | CYP3A4ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL7790497 | 0.89 | ALDH1A1 (0.52) | CYP3A4ALDH1A1LMNAMEN1KMT2A |
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 |