Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16745472 | 0.84 | CYP2D6 (0.56) | CYP2D6ALDH1A1GAATAAR1HPGD | |
| SCHEMBL11789196 | 0.81 | HSD11B1 (0.49) | ALDH1A1HTR6 | |
| Hydrochloric Acid SCHEMBL11792497 | 0.80 | HSD11B1 (0.48) | HTR6 | |
| SCHEMBL11798218 | 0.80 | CYP3A4 (0.47) | GAALMNATSHRHPGDCA1 | |
| SCHEMBL11790684 | 0.79 | CA1 (0.57) | CYP2D6NPSR1ALDH1A1TP53GAA | |
| SCHEMBL7486281 | 0.78 | CA1 (0.59) | CYP2D6NPSR1LMNAHPGDHCRTR1 | |
| SCHEMBL15874849 | 0.78 | CA1 (0.59) | CYP2D6NPSR1LMNAHPGDHCRTR1 | |
| SCHEMBL11790743 | 0.74 | EPHX2 (0.50) | CYP2D6NPSR1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL11794212 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TP53GAATDP1HTR6 | |
| SCHEMBL11792546 | 0.73 | CA2 (0.53) | LMNASMN1; SMN2CA1CA2CA4 |
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-3937710-A | BENZYL-SUBSTITUTED CYCLOOCTANONES | R. J. REYNOLDS TOBACCO COMPANY (US) | 1976-02-10 | — | — | US | disclosed |