Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9811333 | 0.89 | CA2 (0.53) | CA2CYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL9179611 | 0.86 | CA2 (0.53) | CA2CYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL10891043 | 0.86 | CA2 (0.53) | CA2CYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL10684114 | 0.82 | CA2 (0.43) | CA2TSHRCYP1A2CA1POLB | |
| SCHEMBL9496302 | 0.81 | CA2 (0.45) | CA2CYP3A4TSHRALDH1A1ALOX15 | |
| SCHEMBL10684526 | 0.80 | CYP3A4 (0.35) | CA2CYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL9150135 | 0.79 | PKM (0.49) | CA2CYP3A4ALDH1A1L3MBTL1CA1 | |
| SCHEMBL9498351 | 0.79 | PKM (0.45) | CA2TSHRALDH1A1L3MBTL1CA1 | |
| SCHEMBL31263607 | 0.77 | CA2 (0.47) | CA2CYP3A4TSHRALDH1A1CYP1A2 | |
| SCHEMBL9498840 | 0.77 | CA2 (0.47) | CA2CYP3A4TSHRALDH1A1CYP1A2 |
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-4746323-A | SYNERGISTIC | HOECHST CELANESE CORPORATION (US) | 1988-05-24 | — | — | US | disclosed |