Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL31697571 | 0.75 | ESR1 (0.59) | ALDH1A1ALOX15HSD17B10TAAR1TDP1 | |
| SCHEMBL435874 | 0.74 | ALDH1A1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| Benzene SCHEMBL3440179 | 0.73 | ALDH1A1 (0.69) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL62125 | 0.73 | ALDH1A1 (0.69) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL9741303 | 0.73 | ALDH1A1 (0.69) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL249632 | 0.72 | — | — | |
| SCHEMBL25402413 | 0.70 | ALDH1A1 (0.65) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL7899313 | 0.70 | ALDH1A1 (0.65) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL11747668 | 0.70 | ALDH1A1 (0.65) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL55138 | 0.70 | MAOB (0.72) | ALDH1A1HPGDALOX15ALOX12CASP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6762052-B1 | THE ENZYMES ARE USEFUL IN METABOLISM STUDIES, IN SCREENING OF COMPOUNDS FOR BIOLOGICAL OR PHARMACOLOGICAL ACTIVITY, AS WELL AS SERVING AS A BIO-INDICATOR OF DISEASE STATES OR SUSCEPTIBILITY TO DISEASE STATES | CASHMAN JOHN R | 2004-07-13 | — | — | US | disclosed |