Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4093819 | 0.89 | ALDH1A1 (0.38) | ALDH1A1CNR1ESR1ESR2CCR2 | |
| SCHEMBL540384 | 0.87 | ALDH1A1 (0.40) | ALDH1A1CNR1ESR1ESR2CCR2 | |
| SCHEMBL29377856 | 0.87 | ALDH1A1 (0.40) | ALDH1A1CNR1ESR1ESR2CCR2 | |
| SCHEMBL19512351 | 0.85 | ALDH1A1 (0.39) | ALDH1A1CNR1ESR1ESR2CCR2 | |
| Phosphonic Acid SCHEMBL4098634 | 0.82 | S1PR1 (0.41) | ALDH1A1CNR1ESR1ESR2POLB | |
| SCHEMBL16230317 | 0.72 | TSHR (0.46) | ALDH1A1CNR1ESR1ESR2POLB | |
| SCHEMBL13707209 | 0.72 | ESR1 (0.68) | ALDH1A1ESR1ESR2CA1CA2 | |
| SCHEMBL30196675 | 0.72 | ESR1 (0.68) | ALDH1A1ESR1ESR2CA1CA2 | |
| SCHEMBL5972951 | 0.72 | CYP3A4 (0.43) | ESR1ESR2CCR2POLBNQO1 | |
| SCHEMBL4098636 | 0.72 | S1PR1 (0.38) | ALDH1A1ESR1ESR2POLBNR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8293029-B2 | Colored conversion layers on metal surfaces | HENKEL AG & CO. KGAA (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20090214883-A1 | CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION | HENKEL AG & CO. KGAA (DE) | 2009-08-27 | — | — | US | disclosed |
| US-20060173099-A1 | Colored conversion layers on metal surfaces | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-08-03 | — | — | US | disclosed |