Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ITK | Q08881 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10047553 | 0.84 | TP53 (0.46) | TP53ITKCNR2CNR1 | |
| SCHEMBL905171 | 0.81 | CNR2 (0.48) | TP53ITKKDM4ECNR2CNR1 | |
| SCHEMBL13866502 | 0.80 | CNR2 (0.42) | TP53ITKNPSR1KDM4EAPAF1 | |
| SCHEMBL10047068 | 0.80 | CNR2 (0.44) | TP53KDM4ECNR2CNR1NR1H4 | |
| SCHEMBL905174 | 0.77 | ALDH1A1 (0.41) | TP53CNR2CNR1NR1H4 | |
| SCHEMBL905141 | 0.71 | MLNR (0.41) | TP53ITK | |
| SCHEMBL7051990 | 0.65 | CNR2 (0.46) | ITKCNR2CNR1NR1H4 | |
| SCHEMBL2157618 | 0.65 | NPSR1 (0.42) | TP53NPSR1KDM4EAPAF1TSHR | |
| SCHEMBL2157448 | 0.65 | NPSR1 (0.42) | TP53NPSR1KDM4EAPAF1TSHR | |
| SCHEMBL5710750 | 0.64 | KDM4E (0.40) | NPSR1KDM4EAPAF1TSHRHSD17B10 |
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-2012043445-A1 | CYCLOHEXANE DERIVATIVE COMPOUND | 第一三共株式会社 (JP) | 2012-04-05 | — | — | WO | disclosed |