Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7429556 | 1.00 | CYP1A2 (0.46) | CYP1A2TSHRUSP2ALDH1A1LMNA | |
| SCHEMBL5395932 | 0.95 | CYP1A2 (0.50) | CYP1A2TSHRUSP2ALDH1A1LMNA | |
| SCHEMBL5395933 | 0.95 | CYP1A2 (0.50) | CYP1A2TSHRUSP2ALDH1A1LMNA | |
| SCHEMBL5394072 | 0.86 | CYP1A2 (0.38) | CYP1A2 | |
| SCHEMBL5382379 | 0.86 | CYP1A2 (0.38) | CYP1A2 | |
| SCHEMBL5382375 | 0.86 | CYP1A2 (0.38) | CYP1A2 | |
| SCHEMBL5388548 | 0.86 | CYP1A2 (0.38) | CYP1A2 | |
| SCHEMBL5394201 | 0.86 | CYP1A2 (0.38) | CYP1A2 | |
| SCHEMBL5394737 | 0.82 | TSHR (0.50) | CYP1A2TSHRUSP2ALDH1A1LMNA | |
| SCHEMBL5388073 | 0.82 | TSHR (0.50) | CYP1A2TSHRUSP2ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002508362-A | — | — | 2002-03-19 | — | — | JP | claimed |
| EP-1047678-A1 | 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | Warner-Lambert Company LLC (US) | 2000-11-02 | — | — | EP | claimed |
| WO-1999031075-A1 | 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-06-24 | — | — | WO | claimed |