Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | ACACA | Q13085 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10920754 | 0.85 | ALDH1A1 (0.55) | ALDH1A1KDM4ESMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL10792190 | 0.83 | ACACB (0.48) | ALDH1A1AKR1C3AKR1C2ACACBACACA | |
| SCHEMBL10921392 | 0.83 | L3MBTL1 (0.55) | ALDH1A1SMN1; SMN2AKR1C3AKR1C2CYP3A4 | |
| SCHEMBL11169235 | 0.80 | PTGS1 (0.42) | ALDH1A1SMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL6055217 | 0.79 | ALDH1A1 (0.51) | ALDH1A1KDM4ESMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL11605502 | 0.79 | TP53 (0.53) | ALDH1A1KDM4ESMN1; SMN2RXRARXRB | |
| SCHEMBL3674440 | 0.78 | AKR1C3 (0.70) | ALDH1A1KDM4ESMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL6055352 | 0.77 | TP53 (0.52) | ALDH1A1KDM4ESMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL8045881 | 0.77 | TP53 (0.52) | ALDH1A1KDM4ESMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL4681610 | 0.77 | AKR1C3 (0.52) | ALDH1A1KDM4ESMN1; SMN2AKR1C3AKR1C2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4596880-A | Pesticides | BAYER AKTIENGESELLSCHAFT (DE) | 1986-06-24 | — | — | US | disclosed |
| US-4438275-A | 2,2-DIFLUORO-BENZODIOXOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-03-20 | — | — | US | disclosed |
| US-4310540-A | PYRETHROID-LIKE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1982-01-12 | — | — | US | disclosed |
| US-4261920-A | INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-04-14 | — | — | US | disclosed |
| US-4242357-A | INSECTICIDES, MITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-30 | — | — | US | disclosed |
| US-4218469-A | Combating arthropods with 3-phenoxy-fluoro-benzyl carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1980-08-19 | — | — | US | disclosed |