Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8698260 | 1.00 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8700283 | 0.88 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8700287 | 0.88 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8700279 | 0.88 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8698558 | 0.78 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8698554 | 0.78 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8702660 | 0.76 | ALDH1A1 (0.39) | CA12MTNR1BALDH1A1HPGDLMNA | |
| SCHEMBL8704163 | 0.76 | ALDH1A1 (0.39) | CA12MTNR1BALDH1A1HPGDLMNA | |
| SCHEMBL1704959 | 0.74 | CYP3A4 (0.43) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL8699152 | 0.74 | GLA (0.42) | 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 |