Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7168515 | 0.74 | — | — | |
| SCHEMBL2852278 | 0.72 | CYP1A2 (0.43) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL466184 | 0.70 | CYP1A2 (0.43) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL9537043 | 0.70 | CYP1A2 (0.41) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL9537041 | 0.70 | CYP1A2 (0.41) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL420260 | 0.70 | CYP1A2 (0.41) | CYP1A2USP2ALDH1A1LMNATSHR | |
| Water SCHEMBL10639693 | 0.68 | CYP1A2 (0.40) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL11143116 | 0.68 | CYP1A2 (0.40) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL9301362 | 0.68 | CYP1A2 (0.40) | CYP1A2USP2ALDH1A1LMNATSHR | |
| SCHEMBL4043871 | 0.68 | CYP1A2 (0.40) | CYP1A2USP2ALDH1A1LMNATSHR |
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-1140826-B1 | METHOD FOR PRODUCING (2S,4R,9S)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID AND INTERMEDIATE PRODUCTS THEREFOR | ABBOTT GMBH & CO KG (DE) | 2004-05-06 | — | — | EP | disclosed |