Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.50 |
| ▸ | ATXN2 | Q99700 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3551987 | 0.82 | MEN1 (0.54) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL10153538 | 0.82 | MEN1 (0.54) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL15636331 | 0.82 | MEN1 (0.54) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL25486481 | 0.82 | MEN1 (0.61) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL26204656 | 0.82 | MEN1 (0.50) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL9963117 | 0.82 | MEN1 (0.50) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL23704607 | 0.81 | SMN1; SMN2 (0.55) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL20899504 | 0.81 | MEN1 (0.49) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL27475403 | 0.80 | MEN1 (0.66) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| Oxalic Acid SCHEMBL25382875 | 0.80 | MEN1 (0.51) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 |
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-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |