Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14459057 | 0.95 | CYP1A2 (0.50) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL5390449 | 0.95 | ALDH1A1 (0.58) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL5384976 | 0.93 | CYP1A2 (0.55) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL14559584 | 0.93 | CYP1A2 (0.55) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL14559606 | 0.93 | CYP1A2 (0.55) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL8348773 | 0.93 | CYP1A2 (0.55) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Hydrochloric Acid SCHEMBL5384785 | 0.91 | CYP1A2 (0.53) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL14559594 | 0.90 | CYP1A2 (0.55) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL5382165 | 0.90 | CYP1A2 (0.55) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL14559590 | 0.90 | CYP1A2 (0.55) | CYP1A2ALDH1A1USP2LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1226110-A1 | BICYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001028978-A1 | BICYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2001-04-26 | — | — | WO | disclosed |