Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL14965882 | 0.84 | TP53 (0.64) | TAAR1AOC3ALDH1A1TSHRKMT2A | |
| Dimethylformamide SCHEMBL133144 | 0.82 | ATM (0.41) | TAAR1AOC3SIGMAR1ALDH1A1KMT2A | |
| Benzyl Bromide SCHEMBL1833786 | 0.82 | ALDH1A1 (0.61) | TAAR1AOC3ALDH1A1TSHRKMT2A | |
| Benzyl Alcohol SCHEMBL28205107 | 0.82 | TSHR (0.61) | TAAR1AOC3ALDH1A1TSHRKMT2A | |
| (Chloromethyl)Benzene SCHEMBL11863187 | 0.82 | ALDH1A1 (0.43) | TAAR1AOC3ALDH1A1TSHRKMT2A | |
| SCHEMBL5526488 | 0.80 | TAAR1 (0.59) | TAAR1AOC3SIGMAR1KMT2A | |
| SCHEMBL1300014 | 0.80 | TAAR1 (0.59) | TAAR1AOC3SIGMAR1KMT2A | |
| Dimethylformamide SCHEMBL27810984 | 0.80 | ALDH1A1 (0.71) | TAAR1AOC3ALDH1A1TSHRKMT2A | |
| Benzyl Bromide SCHEMBL9083018 | 0.79 | TSHR (0.56) | TAAR1AOC3ALDH1A1TSHRKMT2A | |
| Biphenyl SCHEMBL27802171 | 0.77 | ALDH1A1 (0.50) | TAAR1ALDH1A1TSHRKMT2AALOX12 |
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-5969150-A | FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES | THE ROCKEFELLER UNIVERSITY (US) | 1999-10-19 | — | — | US | disclosed |