Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | ERN1 | O75460 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7284916 | 0.84 | CYP2A6 (0.58) | CYP2A6CYP2A13HSD17B10ALDH1A1ALOX15 | |
| SCHEMBL1662928 | 0.84 | CYP2A6 (0.58) | CYP2A6CYP2A13HSD17B10ALDH1A1ALOX15 | |
| SCHEMBL3788304 | 0.77 | ALDH1A1 (0.42) | HSD17B10ALDH1A1KDM4EHPGDALOX15 | |
| SCHEMBL3477069 | 0.77 | HSD17B10 (0.52) | CYP2A6HSD17B10ALDH1A1ERN1TDP1 | |
| SCHEMBL42392 | 0.77 | HSD17B10 (0.52) | HSD17B10ALDH1A1ERN1TDP1TSHR | |
| SCHEMBL1042705 | 0.77 | TSHR (0.50) | HSD17B10ALDH1A1KDM4EHPGDALOX15 | |
| SCHEMBL29954356 | 0.75 | PTGS1 (0.48) | CYP2A6CYP2A13ALDH1A1HPGDTDP1 | |
| Hydrochloric Acid SCHEMBL28632193 | 0.74 | HSD17B10 (0.50) | HSD17B10ALDH1A1ERN1TDP1TSHR | |
| SCHEMBL31736848 | 0.71 | HSD17B10 (0.42) | HSD17B10ALDH1A1ERN1L3MBTL1TDP1 | |
| SCHEMBL18002619 | 0.71 | HSD17B10 (0.42) | HSD17B10ALDH1A1ERN1L3MBTL1TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1150996-B1 | NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2007-11-21 | — | — | EP | disclosed |
| US-6599894-B1 | Competitive inhibitors of trypsin-like proteases, such as thrombin, and in treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants | AstŕaZeneca AB (SE) | 2003-07-29 | — | — | US | disclosed |
| EP-1150996-A1 | NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | AstraZeneca AB (SE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000042059-A1 | NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2000-07-20 | — | — | WO | disclosed |