Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.36 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28212456 | 0.84 | GRM5 (0.50) | GRM5CCR1CCR8NOS3NOS2 | |
| SCHEMBL103431 | 0.83 | — | — | |
| SCHEMBL29692491 | 0.83 | — | — | |
| Formaldehyde SCHEMBL28001630 | 0.81 | GRM5 (0.50) | GRM5CCR1CCR8NOS3NOS2 | |
| SCHEMBL2180402 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7258648 | 0.81 | — | — | |
| SCHEMBL28306091 | 0.79 | GRM5 (0.49) | GRM5CCR1CCR8NOS3NOS2 | |
| Formic Acid Methyl Ester SCHEMBL28868157 | 0.79 | CYP3A4 (0.38) | GRM5ALDH1A1HPGDTSHRSMN1; SMN2 | |
| Ethyne SCHEMBL27584909 | 0.79 | CCR1 (0.50) | GRM5CCR1CCR8NOS3NOS2 | |
| Cyanide SCHEMBL28111369 | 0.77 | CCR1 (0.48) | GRM5CCR1CCR8NOS3NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105228995-B | Substituted piperidine compounds and their purposes as orexin receptor regulator | 詹森药业有限公司 | 2018-12-25 | — | — | CN | disclosed |