Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2590676 | 0.74 | NPSR1 (1.00) | NPSR1ALDH1A1SMN1; SMN2TP53POLB | |
| SCHEMBL12225809 | 0.74 | POLB (0.63) | NPSR1ALDH1A1HTTSMN1; SMN2TP53 | |
| SCHEMBL30497877 | 0.72 | POLB (0.78) | NPSR1ALDH1A1HTTSMN1; SMN2TP53 | |
| SCHEMBL16977268 | 0.71 | CYP19A1 (0.61) | NPSR1ALDH1A1HTTSMN1; SMN2TP53 | |
| SCHEMBL8690446 | 0.70 | ALDH1A1 (1.00) | NPSR1ALDH1A1HTTSMN1; SMN2POLB | |
| SCHEMBL1233547 | 0.70 | ALDH1A1 (0.67) | ALDH1A1HTTSMN1; SMN2TP53POLB | |
| SCHEMBL6086686 | 0.70 | POLB (0.74) | NPSR1ALDH1A1HTTSMN1; SMN2TP53 | |
| SCHEMBL3230384 | 0.69 | TP53 (0.80) | ALDH1A1HTTSMN1; SMN2TP53POLB | |
| SCHEMBL27933692 | 0.69 | POLB (1.00) | NPSR1ALDH1A1HTTSMN1; SMN2TP53 | |
| SCHEMBL2932309 | 0.68 | POLB (0.83) | ALDH1A1HTTSMN1; SMN2TP53POLB |
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-2011137220-A1 | SMALL MOLECULE NEUROPEPTIDE S ANTAGONISTS FOR THE TREATMENT OF ADDICTIVE DISORDERS, MOOD, ANXIETY AND SLEEP DISORDERS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-11-03 | — | — | WO | disclosed |