Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.43 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14312096 | 0.99 | CYP2D6 (0.49) | CYP2D6TP53CYP1A2CYP3A4ALOX12 | |
| SCHEMBL14312072 | 0.94 | CYP2D6 (0.46) | CYP2D6TP53CYP1A2CYP3A4ALOX12 | |
| SCHEMBL14327160 | 0.94 | CYP2D6 (0.50) | CYP2D6TP53CYP1A2CYP3A4ALOX12 | |
| SCHEMBL14478355 | 0.92 | CYP2D6 (0.46) | CYP2D6TP53CYP1A2CYP3A4ALOX12 | |
| SCHEMBL8654441 | 0.92 | CYP2D6 (0.54) | CYP2D6TP53CYP1A2CYP3A4ALOX12 | |
| SCHEMBL14477644 | 0.89 | CYP2D6 (0.42) | CYP2D6TP53CYP1A2CYP3A4ALOX12 | |
| SCHEMBL9122681 | 0.88 | P2RY6 (0.54) | CYP2D6TP53CYP1A2CYP3A4ALOX12 | |
| SCHEMBL14327153 | 0.87 | CYP2D6 (0.41) | CYP2D6TP53CYP1A2CYP3A4ALOX12 | |
| SCHEMBL26241122 | 0.87 | CYP2D6 (0.53) | CYP2D6TP53CYP1A2CYP3A4ALOX12 | |
| SCHEMBL14312212 | 0.87 | SIGMAR1 (0.46) | P2RY6GRIN1GRIN2AGRIN2BSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5652361-A | ANTITUMOR | THE DOW CHEMICAL COMPANY (US) | 1997-07-29 | — | — | US | disclosed |