Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3191564 | 1.00 | ALDH1A1 (0.57) | ALDH1A1TSHRNPSR1CYP3A4CYP2C19 | |
| SCHEMBL3191576 | 1.00 | ALDH1A1 (0.57) | ALDH1A1TSHRNPSR1CYP3A4CYP2C19 | |
| SCHEMBL3191556 | 1.00 | ALDH1A1 (0.57) | ALDH1A1TSHRNPSR1CYP3A4CYP2C19 | |
| SCHEMBL4591420 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TSHRNPSR1CYP3A4CYP2C19 | |
| SCHEMBL3187185 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TSHRNPSR1CYP3A4CYP2C19 | |
| SCHEMBL4591419 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TSHRNPSR1CYP3A4CYP2C19 | |
| SCHEMBL3191659 | 0.88 | TSHR (0.57) | ALDH1A1TSHRNPSR1CYP3A4CYP2C19 | |
| SCHEMBL4590743 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TSHRNPSR1CYP3A4CYP2C19 | |
| SCHEMBL4590740 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TSHRNPSR1CYP3A4CYP2C19 | |
| SCHEMBL3186370 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TSHRNPSR1CYP3A4CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1379249-A4 | FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION | BRISTOL MYERS SQUIBB CO (US) | 2008-01-09 | — | — | EP | claimed |
| EP-1379249-A1 | FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION | Bristol-Myers Squibb Company (US) | 2004-01-14 | — | — | EP | claimed |
| WO-2002067939-A1 | FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-09-06 | — | — | WO | claimed |