Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 2/20 | 0.38 |
| ▸ | RXRB | P28702 | 2/20 | 0.38 |
| ▸ | RXRG | P48443 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | RBP4 | P02753 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL6813479 | 0.86 | USP2 (0.36) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817487 | 0.81 | USP2 (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6821612 | 0.76 | ALDH1A1 (0.46) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6813342 | 0.76 | ALDH1A1 (0.46) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6818099 | 0.76 | ALDH1A1 (0.46) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817361 | 0.74 | CXCR5 (0.41) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6818053 | 0.72 | ALDH1A1 (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817658 | 0.72 | ALDH1A1 (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6813653 | 0.72 | LMNA (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6818072 | 0.71 | USP2 (0.48) | ALDH1A1USP2LMNACYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1180094-B1 | FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER LAMBERT CO (US) | 2004-07-28 | — | — | EP | disclosed |