Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4814952 | 0.84 | CYP1A2 (0.36) | ACHECYP1A2SIGMAR1OPRM1OPRL1 | |
| SCHEMBL1221805 | 0.84 | OPRM1 (0.34) | CYP1A2SIGMAR1OPRM1OPRL1 | |
| SCHEMBL11430167 | 0.81 | OPRM1 (0.33) | CYP1A2SIGMAR1OPRM1OPRL1 | |
| SCHEMBL21115811 | 0.81 | OPRM1 (0.33) | CYP1A2SIGMAR1OPRM1OPRL1 | |
| SCHEMBL16053240 | 0.79 | — | — | |
| SCHEMBL31154616 | 0.78 | CYP1A2 (0.37) | ACHECYP1A2OPRM1OPRL1 | |
| SCHEMBL14028053 | 0.74 | ACHE (0.37) | ACHE | |
| SCHEMBL3578495 | 0.73 | — | — | |
| SCHEMBL28640857 | 0.72 | ACHE (0.32) | ACHESIGMAR1 | |
| SCHEMBL1270265 | 0.69 | KDM4E (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118813293-A | High-density hydrocarbon fuel and preparation method thereof | 陕西煤基特种燃料研究院有限公司 | 2024-10-22 | — | — | CN | disclosed |
| CN-118813292-A | High-density fuel and production method thereof | 陕西煤基特种燃料研究院有限公司 | 2024-10-22 | — | — | CN | disclosed |