Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TACR2 | P21452 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7399408 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAALMNAL3MBTL1 | |
| SCHEMBL11200168 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1MAPK1RAB9A | |
| SCHEMBL1618933 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL5883815 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4ELMNAL3MBTL1SMN1; SMN2 | |
| SCHEMBL273282 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4ELMNAL3MBTL1SMN1; SMN2 | |
| SCHEMBL933951 | 0.73 | KDM4E (0.57) | ALDH1A1KDM4ELMNAL3MBTL1SMN1; SMN2 | |
| SCHEMBL89165 | 0.73 | FDPS (0.38) | ALDH1A1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL8386822 | 0.73 | TSHR (0.45) | ALDH1A1KDM4ENPC1RAB9AGAA | |
| SCHEMBL4469982 | 0.73 | SMN1; SMN2 (0.46) | ALDH1A1NPC1MAPK1RAB9ALMNA | |
| SCHEMBL7464556 | 0.73 | ALDH1A1 (0.55) | ALDH1A1KDM4ENPC1MAPK1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1115330-C | N- (4-amidinophenyl) glycinamide derivatives | HOFFMANN LA ROCHE (CH) | 2003-07-23 | — | — | CN | disclosed |
| US-6140353-A | USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-10-31 | — | — | US | disclosed |
| CN-1224714-A | N- (4-amidinophenyl) glycinamide derivatives | HOFFMANN LA ROCHE (CH) | 1999-08-04 | — | — | CN | disclosed |