Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | S100B | P04271 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6580919 | 0.80 | S100B (0.62) | ALDH1A1S100BCHKADHFRPTPN1 | |
| SCHEMBL249284 | 0.78 | CRHR1 (0.39) | CHKADHFRPTPN1CRHR1SMN1; SMN2 | |
| SCHEMBL11037811 | 0.76 | CHKA (0.34) | ALDH1A1S100BCHKADHFRPTPN1 | |
| SCHEMBL851567 | 0.75 | CHKA (0.50) | ALDH1A1CHKADHFRPTPN1CRHR1 | |
| SCHEMBL11149905 | 0.75 | S100B (0.66) | ALDH1A1S100BCA12CA1CA2 | |
| SCHEMBL11246200 | 0.74 | SMN1; SMN2 (0.46) | ALDH1A1CHKAPTPN1SMN1; SMN2 | |
| SCHEMBL127344 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CHKAPTPN1CRHR1 | |
| SCHEMBL7744331 | 0.74 | ALDH1A1 (0.50) | ALDH1A1S100BCA12CA1CA2 | |
| SCHEMBL15996892 | 0.73 | SMN1; SMN2 (0.43) | CHKAHDAC1DHFRSMN1; SMN2 | |
| SCHEMBL9153229 | 0.73 | S100B (0.72) | ALDH1A1S100BCRHR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5917037-A | Process for the preparation of n-carboxyalkyl-3-fluoro-4-dialkylaminoanilines | CLARIANT GMBH (DE) | 1999-06-29 | — | — | US | disclosed |