Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.50 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.50 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17591327 | 0.76 | MEN1 (0.56) | ALDH1A1CYP3A4TSHRTDP1TXNRD1 | |
| SCHEMBL18152655 | 0.76 | MEN1 (0.49) | ALDH1A1CYP3A4TSHRHPGDALOX15 | |
| SCHEMBL11869664 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL8855614 | 0.75 | MAPT (0.52) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL18761574 | 0.74 | CACNA1H (0.47) | — | |
| SCHEMBL7919209 | 0.74 | CTSS (0.42) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL11644077 | 0.74 | MAPT (0.51) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL8855484 | 0.74 | MAPT (0.51) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL2418755 | 0.74 | CYP3A4 (0.55) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL29425311 | 0.73 | GAA (0.53) | ALDH1A1CYP3A4TSHRTDP1HPGD |
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-3954788-A | INTERMEDIATES FOR HERBIDIDES | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |
| US-3954788-A | INTERMEDIATES FOR HERBIDIDES | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |