Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.64 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17185672 | 0.78 | CYP2A6 (0.64) | CYP2A6APPRAB9ANPC1MAPK1 | |
| SCHEMBL2900756 | 0.78 | CYP2A6 (0.64) | CYP2A6APPRAB9ANPC1MAPK1 | |
| SCHEMBL29502957 | 0.78 | CYP2A6 (1.00) | CYP2A6APPRAB9ANPC1MAPK1 | |
| SCHEMBL1706926 | 0.78 | CYP2A6 (0.64) | CYP2A6APPRAB9ANPC1MAPK1 | |
| SCHEMBL225144 | 0.78 | CYP2A6 (0.64) | CYP2A6APPRAB9ANPC1MAPK1 | |
| SCHEMBL91009 | 0.78 | CYP2A6 (1.00) | CYP2A6APPRAB9ANPC1MAPK1 | |
| SCHEMBL9956377 | 0.78 | CYP2A6 (1.00) | CYP2A6APPRAB9ANPC1MAPK1 | |
| SCHEMBL11396362 | 0.78 | CYP2A6 (0.64) | CYP2A6APPRAB9ANPC1MAPK1 | |
| SCHEMBL1176914 | 0.75 | CYP2A6 (0.60) | CYP2A6APPRAB9ANPC1MAPK1 | |
| SCHEMBL12884250 | 0.75 | APP (0.76) | CYP2A6APPRAB9ANPC1MAPK1 |
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 |