Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 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 | |
|---|---|---|---|---|
| SCHEMBL9303814 | 0.89 | ALDH1A1 (0.52) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL28476337 | 0.87 | FFAR1 (0.51) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL3919310 | 0.80 | GRM5 (0.49) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL168227 | 0.80 | FFAR1 (0.49) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL6014476 | 0.80 | SMN1; SMN2 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL28010553 | 0.80 | FFAR1 (0.44) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL2095505 | 0.80 | FFAR1 (0.44) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL5700795 | 0.80 | FFAR1 (0.49) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL28383643 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL5966248 | 0.80 | GRM5 (0.50) | GRM5HTR2ASMN1; SMN2MAOAMAOB |
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-6686428-B2 | TRANSMETALLATION REAGENTS REACTED WITH ALPHA-HALOCARBONYL COMPOUNDS IN THE PRESENCE OF A METAL CATALYST | THE PENN STATE RESEARCH FOUNDATION | 2004-02-03 | — | — | US | disclosed |
| US-20020193543-A1 | Transmetallation reagents reacted with alpha-halocarbonyl compounds in the presence of a metal catalyst | NATIONAL INSTITUTES OF HEALTH | 2002-12-19 | — | — | US | disclosed |