Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SDHB | P21912 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8917863 | 0.82 | VCAM1 (0.55) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 | |
| SCHEMBL24213970 | 0.81 | NOTUM (0.46) | EPHX2CYP1A2CYP2C19NOTUMKDM4E | |
| SCHEMBL8104315 | 0.80 | SLC9A1 (0.56) | — | |
| SCHEMBL8104313 | 0.79 | EPHX2 (0.41) | EPHX2 | |
| SCHEMBL27652105 | 0.79 | VCAM1 (0.52) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 | |
| SCHEMBL8894848 | 0.79 | ALDH1A1 (0.47) | VCAM1CYP1A2CYP2C19KDM4EHSD17B10 | |
| Hydrochloric Acid SCHEMBL8097803 | 0.79 | SLC9A1 (0.55) | — | |
| Hydrochloric Acid SCHEMBL8095878 | 0.78 | EPHX2 (0.40) | EPHX2 | |
| SCHEMBL8816182 | 0.77 | VCAM1 (0.50) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 | |
| SCHEMBL8147246 | 0.76 | NOTUM (0.61) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1063436-C | Fluoroalkyl-acyclic alkenyl substituted benzoylguanidines, prepn. method and usage thereof | HOECHST AG (DE) | 2001-03-21 | — | — | CN | disclosed |
| US-5998481-A | CARDIOVASCULAR DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-12-07 | — | — | US | disclosed |
| US-5869531-A | NO UNDESIREABLE SALIDIURETIC PROPERTIES; TREATING ISCHEMIA INDUCED DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-02-09 | — | — | US | disclosed |
| CN-1128752-A | Fluoroalkyl-acyclic alkenyl substituted benzoylguanidines, prepn. method and usage thereof | HOECHST AG (DE) | 1996-08-14 | — | — | CN | disclosed |