Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ERCC5 | P28715 | 4/20 | 0.33 |
| ▸ | FEN1 | P39748 | 4/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | LIG1 | P18858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10587956 | 0.84 | TSHR (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL1416240 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9870136 | 0.82 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL9898760 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL10391659 | 0.81 | MAPT (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19COMT | |
| Formaldehyde SCHEMBL27932456 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL3126288 | 0.80 | TSHR (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9899863 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL28819003 | 0.78 | COMT (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9870125 | 0.77 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4981854-A | BACTERICIDES, ANIMAL GROWTH REGUALTORS | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-01 | — | — | US | disclosed |
| US-4980353-A | BACTERICIDES, ANIMAL GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-25 | — | — | US | disclosed |
| US-4977263-A | USING CHEMICAL INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-11 | — | — | US | disclosed |
| US-4958045-A | ENAMINES, BACTERICIDES, ANIMAL GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1990-09-18 | — | — | US | disclosed |
| US-4902795-A | Intermediates for 1,8-bridged 4-quinolone-3-carboxylic acid antibacterials | BAYER AKTIENGESELLSCHAFT (DE) | 1990-02-20 | — | — | US | disclosed |
| US-4870182-A | 4-Hydroxy-quinoline-3-carboxylic | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-26 | — | — | US | disclosed |
| US-4841059-A | CHEMICAL INTERMEDIATES FOR BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-06-20 | — | — | US | disclosed |
| US-4804760-A | Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1989-02-14 | — | — | US | disclosed |
| US-4725595-A | 1,8-bridged 4-quinolone-3-carboxylic acid antibacterials | BAYER AKTIENGESELLSCHAFT (DE) | 1988-02-16 | — | — | US | disclosed |