Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18902166 | 0.76 | SIGMAR1 (0.36) | SIGMAR1CA12CA1CA2MMP1 | |
| SCHEMBL15630541 | 0.73 | SIGMAR1 (0.37) | SIGMAR1CA12CA1CA2MMP1 | |
| SCHEMBL20968348 | 0.70 | ACE (0.39) | SIGMAR1CA12CA1CA2MMP1 | |
| SCHEMBL152945 | 0.69 | SIGMAR1 (0.40) | SIGMAR1CA12CA1CA2MMP1 | |
| SCHEMBL24458985 | 0.69 | SIGMAR1 (0.37) | SIGMAR1CA12CA1CA2MMP1 | |
| SCHEMBL10145220 | 0.67 | SIGMAR1 (0.39) | SIGMAR1CA12CA1CA2MMP1 | |
| SCHEMBL618916 | 0.67 | SIGMAR1 (0.36) | SIGMAR1CA12CA1CA2MMP1 | |
| SCHEMBL13123498 | 0.67 | TSHR (0.39) | TSHR | |
| SCHEMBL749946 | 0.67 | RIPK1 (0.47) | SIGMAR1CA12CA1CA2MMP1 | |
| SCHEMBL12448295 | 0.67 | PKM (0.47) | SIGMAR1CA12CA1CA2MMP1 |
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-2022082312-A1 | NOVEL CXCR4-TARGETING COMPOUNDS | PROVINCIAL HEALTH SERVICES AUTHORITY (CA) | 2022-04-28 | — | — | WO | disclosed |