Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ELANE | P08246 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26661025 | 0.82 | AKR1C3 (0.57) | AKR1C3MAPTGAATSHRKDM4E | |
| SCHEMBL28224263 | 0.82 | ALDH1A1 (0.58) | AKR1C3MAPTGAATSHRKMT2A | |
| SCHEMBL829508 | 0.81 | TSHR (0.56) | MAPTTSHRKDM4EMAPK1ELANE | |
| SCHEMBL27761128 | 0.80 | ALDH1A1 (0.41) | MAPTTSHRKDM4EMAPK1HSD17B10 | |
| Formaldehyde SCHEMBL27990834 | 0.80 | TSHR (0.54) | MAPTTSHRKDM4EMAPK1ELANE | |
| SCHEMBL27969032 | 0.80 | TSHR (0.54) | MAPTTSHRKDM4EMAPK1ELANE | |
| Hydrochloric Acid SCHEMBL19749005 | 0.80 | TSHR (0.54) | MAPTTSHRKDM4EMAPK1ELANE | |
| Methane SCHEMBL28271932 | 0.80 | TSHR (0.54) | MAPTTSHRKDM4EMAPK1HSD17B10 | |
| SCHEMBL4730611 | 0.80 | AKR1C3 (0.63) | AKR1C3MAPTGAAKDM4EHSD17B10 | |
| SCHEMBL29363206 | 0.78 | TSHR (0.63) | AKR1C3MAPTGAATSHRKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008060844-A1 | POLYMERIZATION INHIBITOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE | ALBEMARLE CORPORATION (US) | 2008-05-22 | — | — | WO | disclosed |