Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 11/20 | 0.38 |
| ▸ | BCHE | P06276 | 8/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1538280 | 0.78 | CA1 (0.50) | CYP1A1CYP1A2CYP1B1ACHEABCG2 | |
| SCHEMBL4207957 | 0.76 | CA1 (0.50) | ACHEBCHECA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL6702520 | 0.74 | CA1 (0.48) | ACHEBCHECA12CA1CA2 | |
| SCHEMBL8741686 | 0.72 | CA1 (0.44) | CYP1A1CYP1A2CYP1B1ACHEABCG2 | |
| SCHEMBL27488535 | 0.71 | HTT (0.53) | ABCG2CA12CA1CA2CA7 | |
| SCHEMBL16961761 | 0.71 | TLR2 (0.44) | CYP1A1CYP1A2CYP1B1ABCG2AMY1A | |
| SCHEMBL91349 | 0.71 | CA12 (0.42) | CYP1A1CYP1A2CYP1B1ACHEABCG2 | |
| SCHEMBL16754277 | 0.70 | CA1 (0.43) | ACHEBCHECA12CA1CA2 | |
| SCHEMBL29014045 | 0.69 | CA12 (0.41) | CYP1A1CYP1A2CYP1B1ACHEBCHE | |
| SCHEMBL18718123 | 0.69 | NFE2L2 (0.41) | CYP1A1CYP1A2CYP1B1ACHEBCHE |
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-0711290-A1 | METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES | SANOFI (FR) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004052-A1 | METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES | SANOFI (FR) | 1995-02-09 | — | — | WO | disclosed |