Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27558594 | 0.84 | CYP3A4 (0.44) | CYP3A4MAOALMNACYP1A2CHRM2 | |
| SCHEMBL3341272 | 0.84 | CYP3A4 (0.44) | CYP3A4MAOALMNACYP1A2CHRM2 | |
| SCHEMBL7767699 | 0.74 | CYP3A4 (0.41) | CYP3A4MAOALMNACYP1A2CHRM2 | |
| SCHEMBL7968082 | 0.71 | MAOA (0.39) | CYP3A4MAOALMNACYP1A2CHRM2 | |
| SCHEMBL194508 | 0.71 | CYP4F2 (0.63) | CYP3A4MAOALMNACYP1A2CHRM2 | |
| SCHEMBL21676593 | 0.71 | CYP3A4 (0.39) | CYP3A4MAOACHRM2CHRM3HTR2C | |
| SCHEMBL9734886 | 0.69 | CYP3A4 (0.39) | CYP3A4MAOALMNACYP1A2CHRM2 | |
| SCHEMBL4277534 | 0.69 | MAOA (0.44) | CYP3A4MAOALMNACYP1A2CHRM2 | |
| SCHEMBL21656353 | 0.69 | CASP1 (0.54) | CYP3A4CYP1A2CASP1CYP2C9TSHR | |
| SCHEMBL28276253 | 0.69 | CUL4A (0.48) | CYP3A4MAOALMNACYP1A2CHRM2 |
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-6204222-B1 | SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-20 | — | — | US | disclosed |
| US-5817603-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |