Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7431136 | 0.92 | MRGPRX1 (0.48) | MRGPRX1ABCB1FLT1MTNR1AJAK2 | |
| SCHEMBL29778855 | 0.75 | ITGB2 (0.50) | MTNR1AHTTKDM4EMAPK1ALDH1A1 | |
| SCHEMBL253657 | 0.75 | ITGB2 (0.50) | MTNR1AHTTKDM4EMAPK1ALDH1A1 | |
| SCHEMBL16703460 | 0.74 | MRGPRX1 (0.52) | MRGPRX1ABCB1FLT1MTNR1AHTT | |
| SCHEMBL8545657 | 0.74 | PARP1 (0.49) | JAK2TP53MAPTHTTKLK7 | |
| Hydrochloric Acid SCHEMBL2483570 | 0.73 | ITGB2 (0.48) | MTNR1AMAPTHTTKDM4EMAPK1 | |
| SCHEMBL2961606 | 0.73 | MTNR1A (0.57) | MRGPRX1ABCB1FLT1MTNR1AMAPT | |
| SCHEMBL3846828 | 0.72 | PTGS1 (0.58) | JAK2TP53MAPTHTTKLK7 | |
| SCHEMBL6375223 | 0.71 | NPC1 (0.37) | MAPK1ALDH1A1 | |
| SCHEMBL4181845 | 0.70 | MAOB (0.38) | TP53MAPTKDM4EPOLBALDH1A1 |
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-1993008185-A1 | N-ARYL-N1-AZABICYCLO-UREAS AS 5-HT3 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-04-29 | — | — | WO | disclosed |