Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL93461 | 0.88 | ALDH1A1 (0.34) | CYP3A4ALDH1A1TSHRSMN1; SMN2TP53 | |
| SCHEMBL1550009 | 0.87 | TSHR (0.39) | CYP3A4ALDH1A1TSHRSMN1; SMN2TP53 | |
| SCHEMBL7889492 | 0.82 | TDP1 (0.32) | CYP3A4ALDH1A1TSHRSMN1; SMN2TP53 | |
| SCHEMBL17164006 | 0.80 | ALDH1A1 (0.46) | CYP3A4ALDH1A1TSHRSMN1; SMN2TP53 | |
| SCHEMBL10438940 | 0.79 | TDP1 (0.32) | CYP3A4ALDH1A1TSHRSMN1; SMN2TP53 | |
| Ammonia Solution, Strong SCHEMBL22558012 | 0.78 | ALDH1A1 (0.44) | CYP3A4ALDH1A1TSHRSMN1; SMN2TP53 | |
| SCHEMBL23094082 | 0.78 | ALDH1A1 (0.33) | CYP3A4ALDH1A1TSHRTDP1GLA | |
| Methane SCHEMBL2463087 | 0.78 | — | — | |
| SCHEMBL529770 | 0.77 | TDP1 (0.38) | CYP3A4ALDH1A1TSHRSMN1; SMN2TP53 | |
| SCHEMBL2170950 | 0.76 | HDAC3 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1091992-A1 | RESIN SYSTEM | ABB Corporate Research Ltd. (CH) | 2001-04-18 | — | — | EP | disclosed |
| WO-1999067315-A1 | RESIN SYSTEM | ABB CORPORATE RESEARCH LTD. (CH) | 1999-12-29 | — | — | WO | disclosed |