Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | XDH | P47989 | 1/20 | 0.49 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.47 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.47 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL34471947 | 0.72 | KDM4E (0.33) | PARP1 | |
| SCHEMBL31040685 | 0.69 | TXNRD1 (0.58) | CYP3A4NAMPTXDHTXNRD1TXNRD3 | |
| SCHEMBL212004 | 0.69 | TXNRD1 (0.58) | CYP3A4NAMPTXDHTXNRD1TXNRD3 | |
| SCHEMBL204674 | 0.69 | TSHR (0.46) | CYP3A4TXNRD1TXNRD3TXNRD2PARP1 | |
| SCHEMBL9488743 | 0.68 | ALDH1A1 (0.44) | CYP3A4NAMPTXDHTXNRD1TXNRD3 | |
| SCHEMBL9332423 | 0.67 | MAPT (0.46) | CYP3A4TXNRD1TXNRD3TXNRD2ALDH1A1 | |
| SCHEMBL15197892 | 0.66 | CYP1A2 (0.58) | CYP3A4NAMPTXDHTXNRD1TXNRD3 | |
| SCHEMBL4230616 | 0.66 | TSHR (0.42) | CYP3A4TXNRD1TXNRD3TXNRD2ALDH1A1 | |
| SCHEMBL30051508 | 0.66 | CYP3A4 (1.00) | CYP3A4NAMPTXDHTXNRD1TXNRD3 | |
| SCHEMBL271341 | 0.66 | CYP3A4 (1.00) | CYP3A4NAMPTXDHTXNRD1TXNRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5183898-A | Chemical intermediate for fungicide | BAYER AKTIENGESELLSCHAFT (DE) | 1993-02-02 | — | — | US | disclosed |
| US-5093345-A | Fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-03 | — | — | US | disclosed |
| EP-0391186-A1 | Nitro substituted benzotiazolones, process for their production and their use as pesticides and new intermediates | BAYER AG (DE) | 1990-10-10 | — | — | EP | disclosed |