Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9807310 | 0.85 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4THRBRECQL | |
| SCHEMBL5353246 | 0.81 | CA1 (0.48) | ALDH1A1TSHRCYP3A4THRBRECQL | |
| SCHEMBL7554123 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TSHRCYP3A4THRBRECQL | |
| SCHEMBL4991882 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP3A4THRBRECQL | |
| SCHEMBL11006119 | 0.79 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP3A4THRBRECQL | |
| SCHEMBL8164868 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP3A4THRBRECQL | |
| SCHEMBL27577874 | 0.78 | CYP2C9 (0.37) | ALDH1A1TSHRCYP3A4THRBRECQL | |
| SCHEMBL27657206 | 0.77 | CYP2C9 (0.36) | ALDH1A1TSHRCYP3A4THRBRECQL | |
| SCHEMBL1955903 | 0.77 | CYP3A4 (0.50) | ALDH1A1TSHRCYP3A4THRBRECQL | |
| SCHEMBL9232347 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP3A4THRBRECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-4467088-A | USEFULL IN PREPARATION OF DYES | CIBA-GEIGY CORPORATION (US) | 1984-08-21 | — | — | US | disclosed |
| US-4014866-A | FOR SURFACE COATINGS, PRINTING INKS AND RESINS | BASF AKTIENGESELLSCHAFT (DT) | 1977-03-29 | — | — | US | disclosed |