Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 5/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | UBE2N | P61088 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | GUSB | P08236 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18247693 | 1.00 | GABRA5 (0.48) | GABRA5GABRA1SRCIDO1LMNA | |
| SCHEMBL20853252 | 0.86 | SRC (0.47) | GABRA5GABRA1SRCIDO1LMNA | |
| SCHEMBL20853327 | 0.86 | GABRA1 (0.46) | GABRA5GABRA1IDO1LMNACCR2 | |
| SCHEMBL18247771 | 0.85 | CCR2 (0.46) | LMNAALOX5APNTRK1CCR2KDM4E | |
| SCHEMBL30229333 | 0.85 | CCR2 (0.46) | LMNAALOX5APNTRK1CCR2KDM4E | |
| SCHEMBL4797082 | 0.84 | CCR2 (0.58) | SRCLMNACCR2KDM4EALDH1A1 | |
| SCHEMBL18258220 | 0.80 | ALDH1A1 (0.51) | GABRA5GABRA1SRCIDO1LMNA | |
| SCHEMBL20840116 | 0.80 | GABRA1 (0.49) | GABRA5GABRA1IDO1NTRK1KDM4E | |
| SCHEMBL30229724 | 0.80 | GABRA1 (0.49) | GABRA5GABRA1IDO1NTRK1KDM4E | |
| SCHEMBL27204175 | 0.79 | BRD4 (0.56) | GABRA5GABRA1SRCIDO1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111108105-B | Heterocyclic compounds as PAD inhibitors | 朱比兰特埃皮帕德有限公司 | 2023-03-31 | — | — | CN | disclosed |