Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | SCN1A | P35498 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30598328 | 1.00 | CXCR4 (0.53) | CXCR4HRH3MAOBSCN1ASCN2A | |
| SCHEMBL11922689 | 1.00 | CXCR4 (0.53) | CXCR4HRH3MAOBSCN1ASCN2A | |
| Fluoride SCHEMBL30330634 | 0.98 | CXCR4 (0.51) | CXCR4HRH3MAOBSCN1ASCN2A | |
| Bromide SCHEMBL31620952 | 0.98 | CXCR4 (0.51) | CXCR4HRH3MAOBSCN1ASCN2A | |
| Bromide SCHEMBL31620953 | 0.98 | CXCR4 (0.51) | CXCR4HRH3MAOBSCN1ASCN2A | |
| SCHEMBL18638025 | 0.94 | CXCR4 (0.51) | CXCR4HRH3MAOBSCN1ASCN2A | |
| SCHEMBL12513822 | 0.94 | CXCR4 (0.51) | CXCR4HRH3MAOBSCN1ASCN2A | |
| SCHEMBL25956532 | 0.94 | CXCR4 (0.51) | CXCR4HRH3MAOBSCN1ASCN2A | |
| SCHEMBL11929542 | 0.94 | HRH3 (0.47) | CXCR4HRH3 | |
| SCHEMBL11929543 | 0.94 | HRH3 (0.47) | CXCR4HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023171736-A1 | MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE | 帝人ファーマ株式会社 | 2023-09-14 | — | — | WO | disclosed |
| EP-3853219-B1 | HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES | BAYER AG (DE) | 2023-07-12 | — | — | EP | disclosed |