Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.41 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8698554 | 1.00 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8699145 | 0.91 | GLA (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8699152 | 0.91 | GLA (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8697851 | 0.84 | GLA (0.46) | ALDH1A1KDM4EHPGDHSD17B10POLB | |
| SCHEMBL8697860 | 0.84 | GLA (0.46) | ALDH1A1KDM4EHPGDHSD17B10POLB | |
| SCHEMBL8701996 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2ERN1ABCB1 | |
| SCHEMBL8701999 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2ERN1ABCB1 | |
| SCHEMBL8700287 | 0.81 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8700279 | 0.81 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8700283 | 0.81 | CA12 (0.43) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | disclosed |