Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | TSHR | P16473 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8926426 | 0.83 | NFKB1 (0.40) | CYP1A2CYP3A4TSHRCYP2D6CYP2C19 | |
| SCHEMBL14651067 | 0.76 | CPB1 (0.60) | CYP1A2CYP3A4TSHRCYP2D6CYP2C19 | |
| SCHEMBL8926578 | 0.76 | CYP1A2 (0.37) | CYP1A2CYP3A4TSHRCYP2D6HSD17B10 | |
| SCHEMBL10458522 | 0.74 | CYP1A2 (0.38) | CYP1A2CYP3A4TSHRCYP2D6HSD17B10 | |
| SCHEMBL9170101 | 0.73 | TSHR (0.36) | CYP1A2CYP3A4TSHRCYP2D6HSD17B10 | |
| Hydrochloric Acid SCHEMBL8926643 | 0.72 | CYP1A2 (0.37) | CYP1A2CYP3A4TSHRCYP2D6HSD17B10 | |
| SCHEMBL8926382 | 0.71 | — | — | |
| SCHEMBL19985166 | 0.69 | CHRNB2 (0.35) | CYP1A2CYP3A4TSHRCYP2D6HSD17B10 | |
| SCHEMBL22787511 | 0.69 | CHRNB2 (0.35) | CYP1A2CYP3A4TSHRCYP2D6HSD17B10 | |
| SCHEMBL12795464 | 0.69 | CHRNB2 (0.35) | CYP1A2CYP3A4TSHRCYP2D6HSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5622916-A | PESTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |
| US-5428073-A | Fungicide | BAYER AKTIENGESELLSCHAFT (DE) | 1995-06-27 | — | — | US | disclosed |
| US-5296503-A | Administering orally | BAYER AKTIENGESELLSCHAFT (DE) | 1994-03-22 | — | — | US | disclosed |
| US-5270340-A | Substituted 2-cyclohexen-1-yl-amine fungicidal and herbicidal agents | BAYER AKTIENGESELLSCHAFT (DE) | 1993-12-14 | — | — | US | disclosed |
| US-5196441-A | COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1993-03-23 | — | — | US | disclosed |