Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11449961 | 0.82 | ERN1 (0.42) | ERN1ALDH1A1CA12CA1CA2 | |
| SCHEMBL980376 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CA12CA1CA2TSHR | |
| SCHEMBL2956458 | 0.73 | HSD17B10 (0.50) | ERN1ALDH1A1CA1CA2TSHR | |
| SCHEMBL8433610 | 0.73 | TRPA1 (0.52) | ALDH1A1MAPTKDM4EGAAPOLB | |
| SCHEMBL2949445 | 0.73 | CA9 (0.50) | ALDH1A1CA12CA1CA2TSHR | |
| SCHEMBL10398141 | 0.73 | ALDH1A1 (0.63) | ALDH1A1CA12CA1CA2TSHR | |
| SCHEMBL2956400 | 0.73 | ALOX15 (0.44) | ERN1ALDH1A1CA12CA1CA2 | |
| SCHEMBL3341120 | 0.71 | ALDH1A1 (0.55) | ERN1ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL17826825 | 0.71 | ERN1 (0.36) | ERN1ALDH1A1MAPTKDM4EPTPN1 | |
| SCHEMBL15270445 | 0.71 | CES2 (0.45) | ERN1ALDH1A1CA12CA1CA2 |
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-4221800-A | ANTIALLERGENS, ANTIHISTAMINES | MILES LABORATORIES, INC. (US) | 1980-09-09 | — | — | US | disclosed |