Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.52 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.52 |
| ▸ | ACACB | O00763 | 3/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.45 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.45 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7790497 | 1.00 | ALDH1A1 (0.52) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL7794158 | 1.00 | ALDH1A1 (0.52) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL7794619 | 1.00 | ALDH1A1 (0.52) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL7790483 | 1.00 | ALDH1A1 (0.52) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL7794165 | 1.00 | ALDH1A1 (0.52) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL7790257 | 0.99 | ALDH1A1 (0.50) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL7793322 | 0.94 | ACACB (0.47) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL19197282 | 0.93 | ALDH1A1 (0.58) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL7790464 | 0.90 | ACACB (0.48) | ALDH1A1LMNAACACBS1PR1S1PR4 | |
| SCHEMBL7790491 | 0.89 | CYP3A4 (0.55) | ALDH1A1LMNACYP3A4MEN1USP2 |
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 |