Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | GRK6 | P43250 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IDE | P14735 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5328745 | 0.82 | GRK6 (0.47) | S1PR1BRD4CREBBPSMN1; SMN2CYP2A6 | |
| SCHEMBL1165268 | 0.81 | SMN1; SMN2 (0.53) | S1PR1BRD4CREBBPSMN1; SMN2CYP2A6 | |
| SCHEMBL18974765 | 0.81 | KMT2A (0.47) | S1PR1BRD4CREBBPSMN1; SMN2CYP2A6 | |
| SCHEMBL1020544 | 0.78 | CYP2A6 (0.49) | S1PR1BRD4CREBBPSMN1; SMN2CYP2A6 | |
| SCHEMBL940731 | 0.77 | MAOA (0.49) | SMN1; SMN2CYP2A6GRK6MEN1KMT2A | |
| SCHEMBL11926858 | 0.77 | CYP2A6 (0.62) | BRD4CREBBPSMN1; SMN2CYP2A6GRK6 | |
| SCHEMBL4456344 | 0.75 | ACLY (0.46) | SMN1; SMN2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL6756584 | 0.75 | MAPT (0.60) | SMN1; SMN2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL6756583 | 0.75 | MAPT (0.60) | SMN1; SMN2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL5252164 | 0.75 | HDAC1 (0.45) | S1PR1BRD4CREBBPSMN1; SMN2CYP2A6 |
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-2009090548-A2 | 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS | GLENMARK PHARMACEUTICALS, S.A. (US) | 2009-07-23 | — | — | WO | disclosed |