Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HBB | P68871 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2759481 | 0.83 | TDP1 (0.57) | TSHRPOLBTDP1CYP3A4 | |
| SCHEMBL2039034 | 0.83 | TDP1 (0.51) | TSHRPOLBTDP1CYP3A4LMNA | |
| SCHEMBL84933 | 0.81 | TSHR (0.59) | TSHRPOLBTDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL3470544 | 0.81 | TDP1 (0.62) | TSHRPOLBTDP1CYP3A4LMNA | |
| SCHEMBL12465711 | 0.81 | TDP1 (0.48) | TSHRPOLBTDP1CYP3A4LMNA | |
| SCHEMBL9602488 | 0.80 | TSHR (0.58) | TSHRPOLBTDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL85431 | 0.78 | TSHR (0.60) | TSHRPOLBTDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL65336 | 0.78 | TSHR (0.63) | TSHRPOLBTDP1LMNASMN1; SMN2 | |
| SCHEMBL28191332 | 0.78 | TSHR (0.56) | TSHRPOLBTDP1LMNAHSD17B10 | |
| Hydrochloric Acid SCHEMBL5843426 | 0.77 | TSHR (0.62) | TSHRPOLBTDP1HSD17B10SMN1; SMN2 |
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-7230017-B2 | Dihydropyridinone derivatives | BAYER HEALTHCARE AG (DE) | 2007-06-12 | — | — | US | disclosed |
| US-7230017-B2 | Dihydropyridinone derivatives | BAYER HEALTHCARE AG (DE) | 2007-06-12 | — | — | US | disclosed |
| WO-2004020410-A2 | DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2004-03-11 | — | — | WO | disclosed |