Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 15/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CPT1A | P50416 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28406283 | 0.75 | CYP19A1 (0.41) | CYP19A1TSHRNPSR1KDM4ELMNA | |
| SCHEMBL28854301 | 0.72 | TSHR (0.41) | CYP19A1TSHRNPSR1CPT1A | |
| SCHEMBL6077915 | 0.72 | CYP19A1 (0.51) | CYP19A1TSHRNPSR1 | |
| SCHEMBL3201760 | 0.70 | CYP19A1 (0.48) | CYP19A1TSHRNPSR1 | |
| SCHEMBL28169672 | 0.69 | CYP19A1 (0.38) | CYP19A1 | |
| SCHEMBL28170200 | 0.69 | CYP19A1 (0.38) | CYP19A1 | |
| SCHEMBL27666457 | 0.69 | CYP19A1 (0.49) | CYP19A1TSHRNPSR1KDM4ELMNA | |
| SCHEMBL1742974 | 0.68 | CPT1A (0.40) | CYP19A1TSHRCPT1A | |
| SCHEMBL16053224 | 0.68 | MMP9 (0.46) | CPT1AKDM4ELMNA | |
| SCHEMBL11132895 | 0.68 | PRKCA (0.40) | — |
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-3328501-A1 | TOOTH WHITENING ORAL CARE COMPOSITION | Colgate-Palmolive Company (US) | 2018-06-06 | — | — | EP | disclosed |
| WO-2017030583-A1 | TOOTH WHITENING ORAL CARE COMPOSITION | COLGATE-PALMOLIVE COMPANY (US) | 2017-02-23 | — | — | WO | disclosed |