Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL10471783 | 0.93 | CES2 (0.52) | ALDH1A1CES2AKR1B1TSHRSLC22A6 | |
| SCHEMBL289489 | 0.86 | HDAC1 (0.43) | ALDH1A1TP53CES2CES1AKR1B1 | |
| SCHEMBL4115354 | 0.82 | ALDH1A1 (0.46) | ALDH1A1TP53CES2CES1TSHR | |
| SCHEMBL23253421 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TP53CES2CES1TSHR | |
| SCHEMBL1304772 | 0.78 | — | — | |
| SCHEMBL1554465 | 0.77 | CA1 (0.46) | ALDH1A1TP53CES2CES1CA2 | |
| SCHEMBL882565 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TP53CES2CES1 | |
| SCHEMBL11457223 | 0.76 | — | — | |
| SCHEMBL901650 | 0.75 | — | — | |
| SCHEMBL5528500 | 0.74 | CES2 (0.46) | ALDH1A1TP53CES2CES1AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012038905-A1 | THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |