Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RHOA | P61586 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8041829 | 0.89 | CYP3A4 (0.73) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL5339693 | 0.84 | ALDH1A1 (0.77) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL1456587 | 0.84 | CYP3A4 (0.77) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL2361415 | 0.82 | ALDH1A1 (0.63) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL8765881 | 0.82 | ALDH1A1 (0.63) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL8991912 | 0.82 | ALDH1A1 (0.63) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL14780440 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL8788430 | 0.81 | TSHR (0.61) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL8758926 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL8787505 | 0.79 | ALDH1A1 (0.60) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E |
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-5543550-A | NITRATING ALKYL ESTER OF 3-FLUOROBENZOIC ACID DISSOLVED IN SOLVENT-FREE SULFURIC ACID, THEN ADDING WATER, SEPARATION, HYDROLYSIS, PRESSURIZED CATALYTIC HYDROGENATION OF THE NITRATED ACID | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-08-06 | — | — | US | disclosed |