Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PEPD | P12955 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | XPNPEP1 | Q9NQW7 | 2/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL9727523 | 0.87 | ALDH1A1 (0.46) | ALDH1A1ALOX5PEPDCYP1A2CYP3A4 | |
| SCHEMBL9727630 | 0.85 | ALDH1A1 (0.48) | ALDH1A1ACE | |
| SCHEMBL9727391 | 0.84 | MEN1 (0.47) | ALDH1A1GAAOPRL1 | |
| SCHEMBL9727470 | 0.78 | PEPD (0.43) | ALDH1A1ALOX5PEPDPDK2XPNPEP1 | |
| SCHEMBL9727329 | 0.76 | ALDH1A1 (0.52) | ALDH1A1ALOX5PEPDCYP1A2CYP3A4 | |
| SCHEMBL9727475 | 0.74 | ALDH1A1 (0.52) | ALDH1A1ALOX5PEPDCYP1A2CYP3A4 | |
| SCHEMBL18621630 | 0.73 | TAS1R3 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22209536 | 0.73 | TAS1R3 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15614468 | 0.73 | CNR2 (0.51) | ALOX5PDK2ACECNR1CNR2 | |
| SCHEMBL9727278 | 0.72 | TSHR (0.54) | ALDH1A1ALOX5PEPDXPNPEP1POLB |
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-5142065-A | Intermediates for herbicides, fungicides, miticides and insecticides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-25 | — | — | US | disclosed |
| US-5091537-A | Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-25 | — | — | US | disclosed |
| US-4985063-A | INSECTICIDES, MITICIDES, HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-15 | — | — | US | disclosed |