Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20988715 | 0.90 | KMT2A (0.35) | CYP1A2CYP2C19KMT2A | |
| SCHEMBL22209541 | 0.85 | CYP1A2 (0.33) | CYP1A2CYP2C19KMT2A | |
| SCHEMBL24029347 | 0.81 | KMT2A (0.38) | CYP1A2CYP2C19KMT2A | |
| SCHEMBL22138141 | 0.80 | KMT2A (0.36) | CYP1A2CYP2C19KMT2A | |
| SCHEMBL19734913 | 0.77 | CYP1A2 (0.33) | CYP1A2CYP2C19KMT2A | |
| SCHEMBL19708674 | 0.75 | CYP1A2 (0.31) | CYP1A2CYP2C19KMT2A | |
| SCHEMBL20988992 | 0.71 | DRD2 (0.43) | CYP1A2CYP2C19KMT2A | |
| SCHEMBL19302623 | 0.71 | DRD2 (0.43) | CYP1A2CYP2C19KMT2A | |
| SCHEMBL22356547 | 0.65 | — | — | |
| SCHEMBL22358512 | 0.64 | DRD2 (0.43) | CYP1A2CYP2C19KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-11318231-B2 | Anti-inflammatory coatings to improve biocompatibility of neurological implants | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2022-05-03 | — | — | US | disclosed |