Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC2A2 | P11168 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL14469294 | 0.91 | ALDH1A1 (0.39) | ALDH1A1POLBADRB2TSHRLMNA | |
| SCHEMBL14469256 | 0.87 | ALDH1A1 (0.38) | ALDH1A1HTTKDM4EMAPTNPSR1 | |
| SCHEMBL14469365 | 0.81 | KDM4E (0.48) | ALDH1A1KDM4EPOLBADRB2TSHR | |
| SCHEMBL14469235 | 0.79 | CNR1 (0.45) | ALDH1A1HTTNPSR1POLBSMN1; SMN2 | |
| SCHEMBL14469366 | 0.79 | CNR1 (0.58) | ALDH1A1NPSR1POLBTSHRLMNA | |
| SCHEMBL14469188 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KDM4EPOLBADRB2TSHR | |
| SCHEMBL14469182 | 0.78 | ALDH1A1 (0.48) | ALDH1A1HTTKDM4EPOLBADRB2 | |
| SCHEMBL14469298 | 0.78 | MEN1 (0.47) | ALDH1A1KDM4EADRB2TSHRSMN1; SMN2 | |
| SCHEMBL14456940 | 0.77 | KCNH2 (0.45) | — | |
| SCHEMBL14469296 | 0.77 | KMT2A (0.43) | ALDH1A1HTTKDM4ENPSR1POLB |
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-2007075555-A2 | COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT | SCHERING CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |